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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 6/20 | 0.97 |
| ▸ | HTR2C known ✓ | P28335 | 3/20 | 0.68 |
| ▸ | HTR7 known ✓ | P34969 | 3/20 | 0.68 |
| ▸ | HTR6 known ✓ | P50406 | 3/20 | 0.68 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.68 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.61 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.61 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.61 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.61 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL7839803 | 0.98 | HTR2A (1.00) | HTR2AHTR2CHTR7HTR6KCNH2 | |
| Hydrochloric Acid SCHEMBL9650868 | 0.92 | HTR2A (0.82) | HTR2AKCNH2KDM4ECYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9647474 | 0.91 | KCNH2 (0.84) | HTR2AHTR2CHTR7HTR6KCNH2 | |
| Hydrochloric Acid SCHEMBL7418228 | 0.91 | HTR2A (0.85) | HTR2AHTR2CHTR7HTR6KDM4E | |
| SCHEMBL9172271 | 0.89 | HTR2A (0.82) | HTR2AHTR2CHTR7HTR6KCNH2 | |
| SCHEMBL10340074 | 0.89 | KCNH2 (0.86) | HTR2AHTR2CHTR7HTR6KCNH2 | |
| SCHEMBL1582470 | 0.89 | HTR2A (0.87) | HTR2AHTR2CHTR7HTR6KDM4E | |
| SCHEMBL7368435 | 0.89 | HTR2A (0.83) | HTR2AKCNH2KDM4ECYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9649705 | 0.87 | HTR2A (0.74) | HTR2AHTR2CHTR7HTR6KCNH2 | |
| Hydrochloric Acid SCHEMBL10585887 | 0.87 | HTR2A (0.74) | HTR2AHTR2CHTR7HTR6KCNH2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0626968-B1 | PIPERIDINYL THIACYCLIC DERIVATIVES | MERRELL PHARMA INC (US) | 2001-09-26 | — | — | EP | disclosed |
| US-5650416-A | Piperidinyl thiacyclic derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1997-07-22 | — | — | US | disclosed |
| US-5631268-A | ANTIALLERGENS, 5HT2 RECEPTOR ANTAGONISTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5602147-A | Piperidinyl thiacyclic derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1997-02-11 | — | — | US | disclosed |
| US-5596003-A | Piperidinyl thiacyclic derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1997-01-21 | — | — | US | disclosed |
| US-5541200-A | Piperidinyl thiacyclic derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1996-07-30 | — | — | US | disclosed |
| US-5476861-A | Piperidinyl thiacyclic derivatives | MERRELL DOW PHARMACEURICALS INC. (US) | 1995-12-19 | — | — | US | disclosed |
| US-5371093-A | Piperidinyl thiacyclic derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-12-06 | — | — | US | disclosed |
| WO-1993016081-A1 | PIPERIDINYL THIACYCLIC DERIVATIVES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-08-19 | — | — | WO | disclosed |
| US-5169096-A | Serotonin antagonists, analgesics | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-12-08 | — | — | US | disclosed |
| US-5021428-A | Novel chemical compounds for the prophylactic treatment of migraine | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-06-04 | — | — | US | disclosed |
| US-4912117-A | Therapy for varient angina | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-03-27 | — | — | US | disclosed |
| EP-0208235-B1 | N-ARALKYL PIPERIDINEMETHANOL DERIVATIVES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-01-10 | — | — | EP | disclosed |
| US-4783471-A | N-aralkyl piperidine methanol derivatives and the uses thereof | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-11-08 | — | — | US | disclosed |
| EP-0208235-A1 | N-Aralkyl piperidinemethanol derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-01-14 | — | — | EP | disclosed |