Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.33 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ANPEP | P15144 | 2/20 | 0.34 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.32 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20983466 | 1.00 | KDM4E (0.36) | KDM4EALDH1A1ANPEPERAP2CYP1A2 | |
| SCHEMBL27728131 | 0.98 | KDM4E (0.37) | KDM4EALDH1A1ANPEPERAP2CYP1A2 | |
| SCHEMBL80882 | 0.98 | KDM4E (0.37) | KDM4EALDH1A1ANPEPERAP2CYP1A2 | |
| SCHEMBL10895092 | 0.92 | KDM4E (0.42) | KDM4EALDH1A1ANPEPERAP2CYP1A2 | |
| Hydrochloric Acid SCHEMBL29464210 | 0.91 | METAP1 (0.37) | KDM4EALDH1A1MEN1MITFKMT2A | |
| SCHEMBL82949 | 0.89 | — | — | |
| SCHEMBL27707284 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL29775395 | 0.82 | MEN1 (0.30) | MEN1MITFKMT2A | |
| Hydrochloric Acid SCHEMBL29464206 | 0.82 | MEN1 (0.30) | MEN1MITFKMT2A | |
| SCHEMBL11204184 | 0.81 | CXCR4 (0.42) | KDM4EALDH1A1CYP1A2CYP2C19PARP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240279238-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2024-08-22 | — | — | US | disclosed |
| EP-3045206-B2 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE CO (US) | 2023-02-15 | — | — | EP | disclosed |
| US-20220213121-A1 | SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2022-07-07 | — | — | US | disclosed |
| US-11267823-B2 | Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2022-03-08 | — | — | US | disclosed |
| EP-3372281-B1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE CO (US) | 2021-07-07 | — | — | EP | disclosed |
| US-10927129-B2 | N-[(2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3] oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide having HIV integrase inhibitory activity | SHINOGI & CO., LTD. (JP) | 2021-02-23 | — | — | US | disclosed |
| US-20200339598-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2020-10-29 | — | — | US | disclosed |
| US-20190284208-A1 | N-[(2,4-DIFLUOROPHENYL)METHYL]-6-HYDROXY-3-METHYL-5,7-DIOXO-2,3,5,7,11,11a-HEXAHYDRO[1,3]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINE-8-CARBOXAMIDE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2019-09-19 | — | — | US | disclosed |
| EP-3284520-B1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE CO (US) | 2019-06-05 | — | — | EP | disclosed |
| US-20190152990-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2019-05-23 | — | — | US | disclosed |
| US-9051337-B2 | Substituted 10-hydroxy-9,11-dioxo-2,3,4a,5,9,11,13,13a-octahydro-1h-pyrido[1,2-a]pyrrolo[1′,2′:3,4]imidazo[1,2-d]pyrazine-8-carboxamides | SHIONOGI & CO., LTD. (JP) | 2015-06-09 | — | — | US | disclosed |
| US-20140200209-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE COMPANY (US) | 2014-07-17 | — | — | US | disclosed |
| US-8778943-B2 | Substituted 10-hydroxy-9,11-dioxo-2,3,4a,5,9,11,13,13a-octahydro-1h-pyrido[1,2-α]pyrrolo[1′,2′:3,4]imidazo[1,2-d]pyrazine-8-carboxamides | SHIONOGI & CO., LTD. (JP) | 2014-07-15 | — | — | US | disclosed |
| US-20130172559-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE COMPANY (US) | 2013-07-04 | — | — | US | disclosed |
| US-8410103-B2 | (3S,11aR)-N-[2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide useful as anti-HIV agent | SHIONOGI & CO., LTD. (JP) | 2013-04-02 | — | — | US | disclosed |
| US-20120115875-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | GLAXOSMITHKLINE LLC | 2012-05-10 | — | — | US | disclosed |
| US-8129385-B2 | Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness | SHIONOGI & CO., LTD. (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20090318421-A1 | Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity | VIIV HEALTHCARE COMPANY | 2009-12-24 | — | — | US | disclosed |
| EP-1874117-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SmithKline Beecham Corporation (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006116764-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2006-11-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10927129-B2 | N-[(2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3] oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide having HIV integrase inhibitory activity | DUT, DPYD, IMPDH1 | PARP1 162/4885GAA 1300/4885KDM4E 228/4885 |
| US-20140200209-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | NR4A1, NCOA4, NR4A2 | PARP1 644/4885GAA 3623/4885KDM4E 257/4885 |
| US-20220213121-A1 | SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY | TYMP, TYMS, POLA1 | PARP1 42/4885GAA 946/4885KDM4E 628/4885 |
| US-20120115875-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | NR4A1, NCOA4, NR4A2 | PARP1 640/4885GAA 3615/4885KDM4E 253/4885 |
| US-11267823-B2 | Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity | TYMP, TYMS, POLA1 | PARP1 43/4885GAA 904/4885KDM4E 651/4885 |
| US-20200339598-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | NR4A1, NCOA4, NR4A2 | PARP1 639/4885GAA 3681/4885KDM4E 265/4885 |
| US-20240279238-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | TYMP, CDKN1A, POLL | PARP1 41/4885GAA 1542/4885KDM4E 286/4885 |
| US-20190152990-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | NR4A1, NR4A3, NCOA4 | PARP1 770/4885GAA 3575/4885KDM4E 215/4885 |
| US-20130172559-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | NR4A1, NCOA4, NR4A2 | PARP1 640/4885GAA 3615/4885KDM4E 253/4885 |
| US-20190284208-A1 | N-[(2,4-DIFLUOROPHENYL)METHYL]-6-HYDROXY-3-METHYL-5,7-DIOXO-2,3,5,7,11,11a-HEXAHYDRO[1,3]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINE-8-CARBOXAMIDE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | NR4A1, NR4A2, NR4A3 | PARP1 2443/4885GAA 2931/4885KDM4E 720/4885 |
| US-20090318421-A1 | Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity | NR4A1, NCOA4, NR4A2 | PARP1 640/4885GAA 3615/4885KDM4E 253/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.