Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzenethiol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Benzenethiol SCHEMBL10719483 | 1.00 | — | — | |
| Benzenethiol SCHEMBL27478256 | 1.00 | ALDH1A1 (0.40) | — | |
| Benzenethiol SCHEMBL30709503 | 1.00 | ALDH1A1 (0.40) | — | |
| Benzenethiol SCHEMBL27793298 | 0.96 | ALDH1A1 (0.38) | — | |
| Benzenethiol SCHEMBL16760830 | 0.96 | ALDH1A1 (0.38) | — | |
| Benzenethiol SCHEMBL28862443 | 0.96 | ALDH1A1 (0.43) | — | |
| Benzenethiol SCHEMBL490106 | 0.96 | ALDH1A1 (0.43) | — | |
| Benzenethiol SCHEMBL15809974 | 0.96 | — | — | |
| SCHEMBL22047568 | 0.96 | ALDH1A1 (0.43) | — | |
| Benzenethiol SCHEMBL2574156 | 0.96 | ALDH1A1 (0.43) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1483401-A1 | METHOD FOR SELECTING DRUG SENSITIVITY-DETERMINING FACTORS AND METHOD FOR PREDICTING DRUG SENSITIVITY USING THE SELECTED FACTORS | F.HOFFMANN-LA ROCHE AG (CH) | 2004-12-08 | — | — | EP | claimed |
| WO-2003076660-A1 | METHOD FOR SELECTING DRUG SENSITIVITY-DETERMINING FACTORS AND METHOD FOR PREDICTING DRUG SENSITIVITY USING THE SELECTED FACTORS | F.HOFFMANN-LA ROCHE AG (CH) | 2003-09-18 | — | — | WO | claimed |
| CN-112625000-A | Synthesis method of N-alkane-1, 2-benzisothiazolin-3-ketone | 大丰跃龙化学有限公司 | 2021-04-09 | — | — | CN | disclosed |
| WO-2020246143-A1 | RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN FORMATION METHOD, AND COMPOUND | JSR株式会社 | 2020-12-10 | — | — | WO | disclosed |
| US-7960402-B2 | Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-06-14 | — | — | US | disclosed |
| CN-101056861-B | Carbamoyl-substituted spiro derivatives | BANYU PHARMA CO LTD | 2011-04-06 | — | — | CN | disclosed |
| US-7527913-B2 | Photoacid generators, photoresist composition including the same and method of forming pattern using the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2009-05-05 | — | — | US | disclosed |
| EP-1795527-B1 | CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE | BANYU PHARMA CO LTD (JP) | 2009-04-22 | — | — | EP | disclosed |
| EP-0976722-B1 | BENZAMIDINE DERIVATIVES | AJINOMOTO KK (JP) | 2009-03-11 | — | — | EP | disclosed |
| US-20080182203-A1 | Photoacid generators, photoresist composition including the same and method of forming pattern using the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2008-07-31 | — | — | US | disclosed |
| US-20080171753-A1 | Carbamoyl-Substituted Spiro Derivative | MSD K.K. (JP) | 2008-07-17 | — | — | US | disclosed |
| WO-2005022257-A2 | NOVEL PHOTOSENSITIVE BILAYER COMPOSITION | ARCH SPECIALTY CHEMICALS, INC. (US) | 2005-03-10 | — | — | WO | disclosed |
| EP-1483401-A1 | METHOD FOR SELECTING DRUG SENSITIVITY-DETERMINING FACTORS AND METHOD FOR PREDICTING DRUG SENSITIVITY USING THE SELECTED FACTORS | F.HOFFMANN-LA ROCHE AG (CH) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003076660-A1 | METHOD FOR SELECTING DRUG SENSITIVITY-DETERMINING FACTORS AND METHOD FOR PREDICTING DRUG SENSITIVITY USING THE SELECTED FACTORS | F.HOFFMANN-LA ROCHE AG (CH) | 2003-09-18 | — | — | WO | disclosed |
| CN-1387514-A | Aromatic sulfone hydroxamic acid metalloprotease inhibitor | SEARLE & CO (US) | 2002-12-25 | — | — | CN | disclosed |
| EP-0976722-A1 | BENZAMIDINE DERIVATIVES | Ajinomoto Co., Inc. (JP) | 2000-02-02 | — | — | EP | disclosed |
| CN-1035116-A | Heterocyclic type oxo-2 guanidine-acetic acid | PFIZER (US) | 1989-08-30 | — | — | CN | disclosed |
| EP-0285073-A2 | Catalytic process for preparing dialkyl phosphorodithioic acids | ICI AMERICAS INC. (US) | 1988-10-05 | — | — | EP | disclosed |
| US-4247628-A | STABLE CYAN DYE IMAGE FROM NAPHTHOL OR PHENOL COUPLERS, 2-(2'-(R-O-)PHENYL)BENZOTRIAZOLES | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) | 1981-01-27 | — | — | US | disclosed |
| US-4200466-A | Light-sensitive silver halide photographic materials | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) | 1980-04-29 | — | — | US | disclosed |