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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.48 |
| ▸ | MAOB known ✓ | P27338 | 2/20 | 0.44 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.43 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.43 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL823410 | 0.98 | GAA (0.50) | GAALOXL2CTBP2TAAR1TDP1 | |
| SCHEMBL526194 | 0.84 | GAA (0.57) | GAALOXL2CTBP2TDP1POLB | |
| SCHEMBL28154639 | 0.82 | TAAR1 (0.48) | GAALOXL2CTBP2TAAR1TDP1 | |
| Hydrochloric Acid SCHEMBL1151043 | 0.79 | NPC1 (0.47) | CTBP2TAAR1TDP1POLBMAOB | |
| Hydrochloric Acid SCHEMBL1221724 | 0.79 | MAPK8 (0.44) | MAOBALDH1A1HTTMAOA | |
| Hydrochloric Acid SCHEMBL5795470 | 0.78 | CA2 (0.61) | GAACTBP2TDP1POLBAPEX1 | |
| Hydrochloric Acid SCHEMBL10611065 | 0.78 | CES1 (0.56) | GAALOXL2CTBP2TDP1ALDH1A1 | |
| SCHEMBL5163933 | 0.78 | GAA (0.52) | GAACTBP2TDP1POLBAPEX1 | |
| SCHEMBL27903659 | 0.78 | CA2 (0.61) | CTBP2TAAR1TDP1ALDH1A1RAB9A | |
| SCHEMBL28221360 | 0.78 | GAA (0.52) | GAACTBP2TDP1POLBAPEX1 |
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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180170904-A1 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2018-06-21 | — | — | US | disclosed |
| EP-2266958-B1 | Antiviral agent | SHIONOGI & CO (JP) | 2017-03-15 | — | — | EP | disclosed |
| US-20170066754-A1 | ANTIVIRAL AGENT | SHIONOGI & CO., LTD. (JP) | 2017-03-09 | — | — | US | disclosed |
| EP-2970274-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK (NO 5) LTD (GB) | 2017-03-01 | — | — | EP | disclosed |
| US-9572813-B2 | Antiviral agent | SHIONOGI & CO., LTD. (JP) | 2017-02-21 | — | — | US | disclosed |
| US-9527842-B2 | Inhibitors of human immunodeficiency virus replication | VIIV Healthcare UK (No.5) Limited (GB) | 2016-12-27 | — | — | US | disclosed |
| US-20160024077-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) | 2016-01-28 | — | — | US | disclosed |
| EP-2970274-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | Bristol-Myers Squibb Company (US) | 2016-01-20 | — | — | EP | disclosed |
| US-20150202208-A1 | ANTIVIRAL AGENT | SHIONOGI & CO., LTD. (JP) | 2015-07-23 | — | — | US | disclosed |
| EP-2291377-B1 | IMIDAZOPYRIMIDINONES AND USES THEREOF | AVEXA LTD (AU) | 2015-02-18 | — | — | EP | disclosed |
| EP-1992618-A1 | POLYCYCLIC CINNAMIDE DERIVATIVE | Eisai R&D Management Co., Ltd. (JP) | 2008-11-19 | — | — | EP | disclosed |
| EP-1375486-B1 | NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2008-10-15 | — | — | EP | disclosed |
| WO-2008077188-A1 | BICYCLIC PYRIMIDINONES AND USES THEREOF | AVEXA LIMITED (AU) | 2008-07-03 | — | — | WO | disclosed |
| US-20070219181-A1 | Multi-cyclic cinnamide derivatives | EISAI R&D MANAGEMENT CO., LTD. | 2007-09-20 | — | — | US | disclosed |
| US-20070149556-A1 | Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase | SHIONOGI & CO., LTD. (JP) | 2007-06-28 | — | — | US | disclosed |
| US-20060293334-A1 | Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase | FUJI MASAHIRO | 2006-12-28 | — | — | US | disclosed |
| US-7148237-B2 | Nitrogen-containing heteroaryl compounds having HIV integrase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2006-12-12 | — | — | US | disclosed |
| EP-1698628-A1 | HYDROXYPYRIMIDINONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | Shionogi Co., Ltd. (JP) | 2006-09-06 | — | — | EP | disclosed |
| US-20040127708-A1 | Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2004-07-01 | — | — | US | disclosed |
| EP-1375486-A1 | NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2004-01-02 | — | — | EP | 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 (8 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-20070149556-A1 | Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase | HAT1, SULT1A1, CDK20 | GAA 1623/4885MAOB 1152/4885EGFR 1686/4885 |
| US-20180170904-A1 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | TYMP, TYMS, DUT | GAA 115/4885MAOB 823/4885EGFR 3194/4885 |
| US-20060293334-A1 | Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase | ZC3HAV1, INTS9, PRDM9 | GAA 2376/4885MAOB 729/4885EGFR 3238/4885 |
| US-20070219181-A1 | Multi-cyclic cinnamide derivatives | BACE1, APP, PSEN1 | GAA 916/4885MAOB 3268/4885EGFR 2733/4885 |
| US-20040127708-A1 | Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity | DUT, PNP, INMT | GAA 2274/4885MAOB 482/4885EGFR 2649/4885 |
| US-20150202208-A1 | ANTIVIRAL AGENT | ZC3HAV1, ZC3HAV1L, CCNI | GAA 1442/4885MAOB 900/4885EGFR 3455/4885 |
| US-20170066754-A1 | ANTIVIRAL AGENT | ZC3HAV1, ZC3HAV1L, CCNI | GAA 1442/4885MAOB 900/4885EGFR 3455/4885 |
| US-20160024077-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | EIF2AK2, RTF2, MAVS | GAA 274/4885MAOB 1499/4885EGFR 3789/4885 |
“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.