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 | |
|---|---|---|---|---|
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.68 |
| ▸ | HTR2A known ✓ | P28223 | 4/20 | 0.66 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.66 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.66 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | APEX1 | P27695 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1467120 | 0.98 | HTR2A (0.68) | TAAR1LMNAGLAHTR2AHTR2C | |
| SCHEMBL10041296 | 0.92 | TSHR (0.70) | TAAR1LMNAGLAHTR2AHTR2C | |
| SCHEMBL8117135 | 0.86 | TNKS2 (0.61) | TAAR1LMNAGLAHTR2AHTR2C | |
| Phenol SCHEMBL28390260 | 0.86 | TAAR1 (0.58) | TAAR1LMNAGLAHTR2AHTR2C | |
| SCHEMBL16372690 | 0.85 | AKR1B1 (0.71) | TAAR1LMNATSHRMAPK1KDM4E | |
| SCHEMBL19347933 | 0.84 | HTR2A (0.51) | TAAR1LMNAGLAHTR2AHTR2C | |
| SCHEMBL17263518 | 0.83 | AKR1B1 (0.76) | TAAR1LMNAGLAHTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL28020800 | 0.83 | LMNA (0.52) | TAAR1LMNAGLAHTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL25186695 | 0.82 | HTR2A (0.68) | TAAR1LMNAGLAHTR2AHTR2C | |
| Mescaline SCHEMBL3219304 | 0.82 | HTR2A (0.96) | TAAR1LMNAGLAHTR2AHTR2C |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170266353-A1 | BIOADHESIVE COMPOUNDS AND METHODS OF SYNTHESIS AND USE | DSM IP ASSETS BV (NL) | 2017-09-21 | — | — | US | disclosed |
| EP-3142714-A1 | BIOADHESIVE COMPOUNDS AND METHODS OF SYNTHESIS AND USE | DSM IP Assets B.V. (NL) | 2017-03-22 | — | — | EP | disclosed |
| WO-2015175665-A1 | BIOADHESIVE COMPOUNDS AND METHODS OF SYNTHESIS AND USE | DSM IP ASSETS B.V. (NL) | 2015-11-19 | — | — | WO | disclosed |
| EP-0841918-B1 | THROMBIN INHIBITORS | DIMENSIONAL PHARM INC (US) | 2001-08-08 | — | — | EP | disclosed |
| EP-0841918-A4 | THROMBIN INHIBITORS | DIMENSIONAL PHARM INC (US) | 1998-10-21 | — | — | EP | disclosed |
| EP-0841918-A1 | THROMBIN INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-05-20 | — | — | EP | disclosed |
| US-5612369-A | TREATMENT OF ARTERIAL AND VENOUS THROMBOTIC OCCLUSIVE DISORDERS, INFLAMMATION, CANCER, AND NEURODEGENERATIVE DISEASES | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1997-03-18 | — | — | US | disclosed |
| WO-1996040118-A1 | THROMBIN INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1996-12-19 | — | — | WO | disclosed |