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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 5/20 | 0.56 |
| ▸ | ESR2 known ✓ | Q92731 | 5/20 | 0.56 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.67 |
| ▸ | TUBB | P07437 | 3/20 | 0.67 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.67 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.67 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.67 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.67 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.67 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.67 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.67 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.67 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.67 |
| ▸ | TUBA1C | Q9BQE3 | 3/20 | 0.67 |
| ▸ | TUBB6 | Q9BUF5 | 3/20 | 0.67 |
| ▸ | TUBB2B | Q9BVA1 | 3/20 | 0.67 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 7/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL7077281 | 0.99 | TUBB4A (0.69) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL7078639 | 0.92 | TUBB4A (0.60) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL5026252 | 0.87 | CNR1 (0.78) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL7104458 | 0.86 | CNR2 (0.76) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL7748528 | 0.86 | TUBB4A (0.67) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL8157541 | 0.86 | L3MBTL1 (0.80) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL8166057 | 0.86 | TUBB4A (0.67) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL5027082 | 0.85 | TUBB4A (0.77) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL11547494 | 0.84 | CNR2 (0.76) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL7075354 | 0.83 | CNR1 (0.70) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888331-A4 | SYNTHESIS OF 3-[4-(2-AMINOETHOXY)-BENZOYL]-2-ARYL-6-HYDROXY-BENZO[b]THIOPHENES | LILLY CO ELI (US) | 2001-05-23 | — | — | EP | disclosed |
| US-6018056-A | Intermediates and processes for preparing benzo (b) thiophenes | ELI LILLY AND COMPANY (US) | 2000-01-25 | — | — | US | disclosed |
| US-6008377-A | ACYLATING A N-DISUBSTITUED-PHENYLOXYETHYLAMINE CHLORO OR BROMO SALT WITH A BENZOTHIOPHENE DERIVATIVE IN PRESENCE OF TRIBOROCHLORIDE OR BROMIDE, DEALKYLATING ONE OR MORE PHENOLIC GROUP OF THE PRODUCT WITH ADDITIONAL BOROHALIDE | ELI LILLY AND COMPANY (US) | 1999-12-28 | — | — | US | disclosed |
| EP-0888331-A1 | SYNTHESIS OF 3-[4-(2-AMINOETHOXY)-BENZOYL]-2-ARYL-6-HYDROXY-BENZO[b]THIOPHENES | ELI LILLY AND COMPANY (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997034888-A1 | SYNTHESIS OF 3-[4-(2-AMINOETHOXY)-BENZOYL]-2-ARYL-6-HYDROXY-BENZO[b]THIOPHENES | ELI LILLY AND COMPANY (US) | 1997-09-25 | — | — | WO | disclosed |