Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Docusate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.44 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Docusate SCHEMBL385233 | 1.00 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL9229113 | 0.99 | RECQL (0.94) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL5987875 | 0.99 | RECQL (0.94) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL10998529 | 0.99 | RECQL (0.94) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL10454277 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL1395966 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL6247110 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL2384327 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL3794005 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL8979655 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119775306-A | Preparation method of special catalyst dioctyl tin oxide for superfine electrophoretic coating | 贵州名泰化工科技有限公司 | 2025-04-08 | — | — | CN | claimed |
| CN-114479755-A | Condensed type waterproof pouring sealant and preparation method thereof | 深圳市欧普特工业材料有限公司 | 2022-05-13 | — | — | CN | claimed |
| CN-1160374-C | Organic tin-containing two-lithium compound and its synthesis | 中国石油化工股份有限公司 | 2004-08-04 | — | — | CN | claimed |
| CN-1361182-A | Organic tin-containing two-lithium compound and its synthesis | INST BEIJING YANSHAN PETROCHEM (CN) | 2002-07-31 | — | — | CN | claimed |
| CN-119775306-A | Preparation method of special catalyst dioctyl tin oxide for superfine electrophoretic coating | 贵州名泰化工科技有限公司 | 2025-04-08 | — | — | CN | disclosed |
| CN-119775306-A | Preparation method of special catalyst dioctyl tin oxide for superfine electrophoretic coating | 贵州名泰化工科技有限公司 | 2025-04-08 | — | — | CN | disclosed |
| CN-114479755-A | Condensed type waterproof pouring sealant and preparation method thereof | 深圳市欧普特工业材料有限公司 | 2022-05-13 | — | — | CN | disclosed |
| WO-2019182233-A1 | ELECTRODEPOSITION RESIN COMPOSITION AND ELECTRODEPOSITION PAINT COMPRISING SAME | 주식회사 케이씨씨 | 2019-09-26 | — | — | WO | disclosed |
| CN-1216086-C | Method for preparing conjugated diolefine/monovinyl aromatic hydrocarbon copolymer rubber by means of solution polymeriaztion | RES INTS BEIJING YANSHAO RETRO (CN) | 2005-08-24 | — | — | CN | disclosed |
| CN-1160373-C | Organic stannic dilithium compound and its synthesis | 中国石油化工股份有限公司 | 2004-08-04 | — | — | CN | disclosed |
| CN-1160374-C | Organic tin-containing two-lithium compound and its synthesis | 中国石油化工股份有限公司 | 2004-08-04 | — | — | CN | disclosed |
| CN-1495208-A | Method for preparing conjugated diolefine/monovinyl aromatic hydrocarbon copolymer rubber by means of solution polymeriaztion | 北京燕山石油化工公司研究院 | 2004-05-12 | — | — | CN | disclosed |
| CN-1361182-A | Organic tin-containing two-lithium compound and its synthesis | INST BEIJING YANSHAN PETROCHEM (CN) | 2002-07-31 | — | — | CN | disclosed |
| CN-1357555-A | Organic stannic dilithium compound and its synthesis | INST OF BEIJING YANSHAN PETROC (CN) | 2002-07-10 | — | — | CN | disclosed |
| EP-0765891-B1 | Process for the preparation of water-blown integral skin polyurethane foams and catalysts useful therein | BAYER AG (US) | 2000-08-09 | — | — | EP | disclosed |
| EP-0765891-A1 | Water-blown integral skin polyurethane foams and catalysts useful therein | Bayer Corporation (US) | 1997-04-02 | — | — | EP | disclosed |
| US-5514723-A | POLYMERIZATION USING CATALYST MIXTURE OF DIORGANOTIN SULFIDE, TERTIARY AMINE, AND TIN COMPOUND | BAYER CORPORATION (US) | 1996-05-07 | — | — | US | disclosed |
| US-4353995-A | TERTIARY AMINE, TIN COMPOUND, AND BARIUM OR CALCIUM CARBOXYLATE | MOBAY CHEMICAL CORPORATION (US) | 1982-10-12 | — | — | US | disclosed |
| EP-0016355-A2 | Novel catalyst system for polyurethane foams and the use thereof | Mobay Chemical Corporation (US) | 1980-10-01 | — | — | EP | disclosed |
| US-4217247-A | TERTIARY AMINE, TIN COMPOUND, CALCIUM OR BARIUM CARBOXYLATE | MOBAY CHEMICAL CORPORATION (US) | 1980-08-12 | — | — | US | disclosed |