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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.53 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 14/20 | 0.51 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.45 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL44425 | 0.98 | HTR2A (0.55) | HTR2ASIGMAR1ALDH1A1TP53CYP1A2 | |
| SCHEMBL30676406 | 0.98 | HTR2A (0.55) | HTR2ASIGMAR1ALDH1A1TP53CYP1A2 | |
| Butane SCHEMBL8571253 | 0.90 | SIGMAR1 (0.56) | HTR2ASIGMAR1ALDH1A1TP53CYP1A2 | |
| Hydrochloric Acid SCHEMBL238199 | 0.89 | SIGMAR1 (0.54) | HTR2ASIGMAR1TP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL31137663 | 0.89 | HTR2A (0.59) | HTR2ASIGMAR1ALDH1A1TP53CYP1A2 | |
| SCHEMBL30841243 | 0.87 | SIGMAR1 (0.53) | HTR2ASIGMAR1TP53CYP1A2CYP3A4 | |
| SCHEMBL155826 | 0.87 | SIGMAR1 (0.53) | HTR2ASIGMAR1TP53CYP1A2CYP3A4 | |
| SCHEMBL1222048 | 0.87 | HTR2A (0.61) | HTR2ASIGMAR1ALDH1A1TP53CYP1A2 | |
| SCHEMBL7382981 | 0.85 | SIGMAR1 (0.54) | HTR2ASIGMAR1TP53CYP1A2CYP3A4 | |
| SCHEMBL19041309 | 0.83 | SIGMAR1 (0.58) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2398809-B1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK CANADA INC (CA) | 2015-07-08 | — | — | EP | disclosed |
| EP-2206714-B1 | AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES | KYOWA HAKKO KIRIN CO LTD (JP) | 2015-01-21 | — | — | EP | disclosed |
| US-8729264-B2 | Agent for prevention and/or treatment of skin diseases | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2014-05-20 | — | — | US | disclosed |
| US-8575167-B2 | Spiro compounds having stearoyl-CoA desaturase action | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-11-05 | — | — | US | disclosed |
| EP-2398809-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Canada Inc. (CA) | 2011-12-28 | — | — | EP | disclosed |
| US-20100256134-A1 | AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2010-10-07 | — | — | US | disclosed |
| WO-2010094120-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2010-08-26 | — | — | WO | disclosed |
| EP-2206714-A1 | AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES | Kyowa Hakko Kirin Co., Ltd. (JP) | 2010-07-14 | — | — | EP | disclosed |
| US-20100069351-A1 | SPIRO COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-03-18 | — | — | US | disclosed |
| US-20050153998-A1 | Tetrahydroisoquinoline or isochroman compounds | ITO FUMITAKA (JP) | 2005-07-14 | — | — | US | disclosed |
| WO-1998025604-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |
| US-5578593-A | RELEASING GROWTH HORMONES FOR ANIMALS | MERCK & CO., INC. (US) | 1996-11-26 | — | — | US | disclosed |
| US-5554752-A | SPIRO FUSED PIPERIDINES CAPABLE OF BINDING TO A VESAMICOL RECEPTOR AND HAVING ANTICHOLINERGIC PROPERTIES | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1996-09-10 | — | — | US | disclosed |
| US-5457207-A | Anticholinergic agents | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1995-10-10 | — | — | US | disclosed |
| EP-0662481-A1 | Spiro piperidines and homologs promote release of growth hormone | MERCK & CO. INC. (US) | 1995-07-12 | — | — | EP | disclosed |
| WO-1994019367-A1 | SPIRO PIPERIDINES AND HOMOLOGS PROMOTE RELEASE OF GROWTH HORMONE | MERCK & CO., INC. (US) | 1994-09-01 | — | — | WO | disclosed |
| US-5324733-A | Selective ligands at sigma recognition sites | MERCK SHARPE & DOHME LTD. | 1994-06-28 | — | — | US | disclosed |
| US-5219860-A | Neuroleptic agents | MERCK SHARP & DOHME LIMITED (GB) | 1993-06-15 | — | — | US | disclosed |
| EP-0445974-A2 | Spirocyclic antipsychotic agents | MERCK SHARP & DOHME LTD. (GB) | 1991-09-11 | — | — | EP | disclosed |
| EP-0093376-B1 | 1-SULFO-2-AZETIDINONE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1990-03-21 | — | — | 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 (3 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-20050153998-A1 | Tetrahydroisoquinoline or isochroman compounds | OPRL1, NR1H3, HRH3 | HTR2A 1006/4885SIGMAR1 11/4885HTR2C 358/4885 |
| US-20100069351-A1 | SPIRO COMPOUND AND USE THEREOF | SCD, SPR, SCD5 | HTR2A 3658/4885SIGMAR1 1459/4885HTR2C 3255/4885 |
| US-20100256134-A1 | AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES | TYR, CUTA, SERPINB1 | HTR2A 4769/4885SIGMAR1 4738/4885HTR2C 4834/4885 |
“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.