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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 4/20 | 0.53 |
| ▸ | DRD3 known ✓ | P35462 | 4/20 | 0.53 |
| ▸ | ADRB1 known ✓ | P08588 | 3/20 | 0.51 |
| ▸ | HTR3A known ✓ | P46098 | 3/20 | 0.43 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.43 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.42 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.42 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.42 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | DRD4 known ✓ | P21917 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL31575883 | 0.98 | ALDH1A1 (0.55) | ALDH1A1DRD2DRD3ADRB1MAPKAPK2 | |
| SCHEMBL232730 | 0.98 | ALDH1A1 (0.55) | ALDH1A1DRD2DRD3ADRB1MAPKAPK2 | |
| Hydrochloric Acid SCHEMBL29380273 | 0.82 | ALDH1A1 (0.56) | ALDH1A1DRD2DRD3ADRB1MAPKAPK2 | |
| Hydrochloric Acid SCHEMBL22532864 | 0.82 | ALDH1A1 (0.56) | ALDH1A1DRD2DRD3ADRB1MAPKAPK2 | |
| Hydrochloric Acid SCHEMBL21492975 | 0.82 | HTR3A (0.56) | ALDH1A1DRD2DRD3ADRB1MAPKAPK2 | |
| Hydrochloric Acid SCHEMBL2172069 | 0.82 | HTR3A (0.56) | ALDH1A1DRD2DRD3ADRB1MAPKAPK2 | |
| Hydrochloric Acid SCHEMBL29882265 | 0.82 | ALDH1A1 (0.56) | ALDH1A1DRD2DRD3ADRB1MAPKAPK2 | |
| SCHEMBL7295036 | 0.80 | DRD2 (0.53) | ALDH1A1DRD2DRD3MAPKAPK2HTR6 | |
| SCHEMBL21714174 | 0.80 | HTR3A (0.58) | ALDH1A1DRD2DRD3ADRB1MAPKAPK2 | |
| SCHEMBL427668 | 0.80 | MAPK1 (0.64) | ALDH1A1CYP3A4CYP2D6CYP2C9KDM4E |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9187497-B2 | Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) | TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) | 2015-11-17 | — | — | US | disclosed |
| US-20150031652-A1 | POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-01-29 | — | — | US | disclosed |
| US-8822470-B2 | Substituted pyrido[2,3-b]pyrazines | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-09-02 | — | — | US | disclosed |
| US-20130274239-A1 | POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2013-10-17 | — | — | US | disclosed |
| US-8450323-B2 | Substituted derivatives of pyrido[3,2-e][1,4]thiazino[4,3-a]pyrazine and pyrido[3,2-e][1,4]oxazino[4,3-a]pyrazine | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-28 | — | — | US | disclosed |
| US-20120122835-A1 | Poly (ADP-Ribose) Polymerase (PARP) Inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-05-17 | — | — | US | disclosed |
| US-8124606-B2 | Substituted 7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3′,2′-e]pyrazin-6(6aH)-ones | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-28 | — | — | US | disclosed |
| CN-102341394-A | Poly (ADP-Ribose) Polymerase (PARP) Inhibitors | TAKEDA PHARMACEUTICAL | 2012-02-01 | — | — | CN | disclosed |
| EP-2389379-A1 | Poly (ADP-Ribose) Polymerase (PARP) Inhibitors | Takeda Pharmaceutical Company Limited (JP) | 2011-11-30 | — | — | EP | disclosed |
| US-20110158989-A1 | Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-06-30 | — | — | US | disclosed |
| US-7928105-B2 | Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-04-19 | — | — | US | disclosed |
| US-20100190763-A1 | Poly (ADP-Ribose) Polymerase (PARP) Inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-29 | — | — | US | disclosed |
| WO-2010085570-A1 | Poly (ADP-Ribose) Polymerase (PARP) Inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-29 | — | — | 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 (5 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-20100190763-A1 | Poly (ADP-Ribose) Polymerase (PARP) Inhibitors | PARP1, PARP3, PARP2 | DRD2 2127/4885DRD3 2059/4885ADRB1 2834/4885 |
| US-20120122835-A1 | Poly (ADP-Ribose) Polymerase (PARP) Inhibitors | PARP1, PARP3, PARP2 | DRD2 2127/4885DRD3 2059/4885ADRB1 2834/4885 |
| US-20110158989-A1 | Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS | PARP1, PARP3, PARP2 | DRD2 2127/4885DRD3 2059/4885ADRB1 2834/4885 |
| US-20150031652-A1 | POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS | PARP1, PARP3, PARP2 | DRD2 2127/4885DRD3 2059/4885ADRB1 2834/4885 |
| US-20130274239-A1 | POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS | PARP1, PARP3, PARP2 | DRD2 2127/4885DRD3 2059/4885ADRB1 2834/4885 |
“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.