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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | GGPS1 | O95749 | 6/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.39 |
| ▸ | FDPS | P14324 | 9/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.37 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL51185 | 0.97 | TSHR (0.47) | TSHRTHRBGGPS1FDPSSMPD1 | |
| SCHEMBL3625459 | 0.97 | TSHR (0.47) | TSHRTHRBGGPS1FDPSSMPD1 | |
| SCHEMBL971499 | 0.97 | TSHR (0.47) | TSHRTHRBGGPS1FDPSSMPD1 | |
| SCHEMBL21128 | 0.97 | TSHR (0.47) | TSHRTHRBGGPS1FDPSSMPD1 | |
| SCHEMBL8622066 | 0.97 | TSHR (0.47) | TSHRTHRBGGPS1FDPSSMPD1 | |
| SCHEMBL23034285 | 0.97 | TSHR (0.47) | TSHRTHRBGGPS1FDPSSMPD1 | |
| SCHEMBL50029 | 0.97 | TSHR (0.47) | TSHRTHRBGGPS1FDPSSMPD1 | |
| SCHEMBL10931906 | 0.97 | TSHR (0.47) | TSHRTHRBGGPS1FDPSSMPD1 | |
| SCHEMBL3624293 | 0.97 | TSHR (0.47) | TSHRTHRBGGPS1FDPSSMPD1 | |
| SCHEMBL3608808 | 0.97 | TSHR (0.47) | TSHRTHRBGGPS1FDPSSMPD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0499743-B1 | Two step process for sweetening a sour hydrocarbon fraction | UOP INC (US) | 1994-07-20 | — | — | EP | disclosed |
| US-5273646-A | Adding aqueous ammonium hydroxide, metal chelate and an onium compound to the hydrocarbon fraction containing an oxidizer and base | UOP (US) | 1993-12-28 | — | — | US | disclosed |
| US-5204306-A | Oxidizing mercaptans to disulfides with metal chelate catalyst and an onium component | UOP (US) | 1993-04-20 | — | — | US | disclosed |
| EP-0396934-B1 | CAUSTIC-FREE SWEETENING OF SOUR HYDROCARBON STREAMS | UOP (US) | 1993-03-10 | — | — | EP | disclosed |
| US-5180484-A | Oxidation in presence of ammonium hydroxide, metal chelate and onium compound | UOP (US) | 1993-01-19 | — | — | US | disclosed |
| EP-0499743-A1 | Two step process for sweetening a sour hydrocarbon fraction | UOP (US) | 1992-08-26 | — | — | EP | disclosed |
| US-5093296-A | Caustic free liquid/liquid process for sweetening a sour hydrocarbon fraction | UOP (US) | 1992-03-03 | — | — | US | disclosed |
| US-5064525-A | Catalysis; hydrogenation | UOP (US) | 1991-11-12 | — | — | US | disclosed |
| EP-0396934-A1 | Caustic-free sweetening of sour hydrocarbon streams | UOP (US) | 1990-11-14 | — | — | EP | disclosed |
| EP-0394571-A1 | Use of a novel catalytic composite for sweetening of sour petroleum distillate | UOP (US) | 1990-10-31 | — | — | EP | disclosed |
| US-4908122-A | Contacting hydrocarbon in the presence of an oxidizing agent with a catalytic composite to oxidize mercaptans to disulfides | UOP (US) | 1990-03-13 | — | — | US | disclosed |
| US-4897180-A | Catalytic composite and process for mercaptan sweetening | UOP (US) | 1990-01-30 | — | — | US | disclosed |
| US-4824818-A | OXIDATION CATALYST CONTAINING METAL CHELATE AND ONIUM COMPOUND | UOP INC. (US) | 1989-04-25 | — | — | US | disclosed |