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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 5/20 | 0.61 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.53 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL651535 | 0.98 | OPRM1 (0.58) | OPRM1DRD2DRD4DRD3MAP4K4 | |
| SCHEMBL648009 | 0.85 | OPRM1 (0.68) | OPRM1DRD2DRD4DRD3MAP4K4 | |
| Hydrochloric Acid SCHEMBL3898632 | 0.82 | OPRM1 (0.42) | OPRM1 | |
| Hydrochloric Acid SCHEMBL28122502 | 0.82 | OPRM1 (0.42) | OPRM1 | |
| Hydrochloric Acid SCHEMBL315411 | 0.81 | OPRM1 (0.53) | OPRM1 | |
| SCHEMBL2218 | 0.81 | OPRM1 (0.64) | OPRM1DRD2DRD4DRD3MAP4K4 | |
| SCHEMBL15862739 | 0.81 | OPRM1 (0.64) | OPRM1DRD2DRD4DRD3MAP4K4 | |
| Hydrochloric Acid SCHEMBL3248442 | 0.80 | OPRM1 (0.41) | OPRM1DRD2CCR1 | |
| SCHEMBL23326020 | 0.80 | OPRM1 (0.39) | OPRM1DRD2DRD4DRD3MAP4K4 | |
| SCHEMBL2302830 | 0.80 | OPRM1 (0.40) | OPRM1 |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3719018-B1 | PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LTD (GB) | 2025-08-27 | — | — | EP | disclosed |
| EP-3421471-B1 | PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LTD (GB) | 2021-05-26 | — | — | EP | disclosed |
| EP-3719018-A1 | PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS | Astex Therapeutics Ltd (GB) | 2020-10-07 | — | — | EP | disclosed |
| EP-3421471-A1 | PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS | Astex Therapeutics Limited (GB) | 2019-01-02 | — | — | EP | disclosed |
| EP-2272517-B2 | ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LTD (GB) | 2017-09-20 | — | — | EP | disclosed |
| CN-106470990-A | pyridazine compounds | 武田药品工业株式会社 | 2017-03-01 | — | — | CN | disclosed |
| US-20170015654-A1 | PYRIDAZINE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-01-19 | — | — | US | disclosed |
| EP-3118200-A1 | PYRIDAZINE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-01-18 | — | — | EP | disclosed |
| US-20150126516-A1 | PIPERIDINE COMPOUND AND ITS USE IN PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-05-07 | — | — | US | disclosed |
| US-9006430-B2 | Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein | ASTEX THERAPEUTICS LIMITED (GB) | 2015-04-14 | — | — | US | disclosed |
| WO-2007125321-A2 | PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2007-11-08 | — | — | WO | disclosed |
| CN-1816551-A | Pyrrolopyrimidine A2bSelective antagonist compounds, their synthesis and use | OSI PHARM INC (US) | 2006-08-09 | — | — | CN | disclosed |
| US-20060167007-A1 | Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof | SANOFI-AVENTIS (FR) | 2006-07-27 | — | — | US | disclosed |
| WO-2006046024-A1 | ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-05-04 | — | — | WO | disclosed |
| EP-1467995-A4 | PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2005-12-07 | — | — | EP | disclosed |
| CN-1675203-A | Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use | SANOFI AVENTIS (FR) | 2005-09-28 | — | — | CN | disclosed |
| US-20050176722-A1 | Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof | SANOFI-AVENTIS (FR) | 2005-08-11 | — | — | US | disclosed |
| EP-1467995-A2 | PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI Pharmaceuticals, Inc. (US) | 2004-10-20 | — | — | EP | disclosed |
| US-20030229067-A1 | Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use | OSI PHARMACEUTICALS, INC. | 2003-12-11 | — | — | US | disclosed |
| WO-2003053361-A2 | PYRROLOPYRIMIDINE A2b SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARMACEUTICALS, INC. (US) | 2003-07-03 | — | — | 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-20030229067-A1 | Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use | ADORA2B, OXER1, CNR1 | OPRM1 30/4885DRD2 190/4885DRD4 543/4885 |
| US-20060167007-A1 | Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof | NR5A2, NR3C2, NR3C1 | OPRM1 104/4885DRD2 462/4885DRD4 331/4885 |
| US-20170015654-A1 | PYRIDAZINE COMPOUND | SCD, SCD5, FADS2 | OPRM1 3911/4885DRD2 2804/4885DRD4 3039/4885 |
| US-20050176722-A1 | Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof | NR5A2, NR3C1, CBR1 | OPRM1 52/4885DRD2 389/4885DRD4 238/4885 |
| US-20150126516-A1 | PIPERIDINE COMPOUND AND ITS USE IN PEST CONTROL | ZYX, CXXC5, CNBP | OPRM1 68/4885DRD2 164/4885DRD4 114/4885 |
“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.