Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 SCHEMBL1282782 | 0.92 | RECQL (0.72) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL723749 | 0.91 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL6932639 | 0.91 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL727271 | 0.91 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL11434516 | 0.91 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL17840937 | 0.91 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL22231584 | 0.91 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL19022251 | 0.91 | RECQL (0.71) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL17473154 | 0.88 | RECQL (0.72) | RECQLCYP3A4TSHRTDP1ATM | |
| SCHEMBL2881845 | 0.88 | RECQL (0.80) | 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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1362880-A2 | OILCLOTH AND LAMP BLACK | CID Centro de Investigacion y Desarrollo, Tecnologico S.A. de C.V. (MX) | 2003-11-19 | — | — | EP | claimed |
| US-6646028-B2 | Rubber and carbon black | CID CENTRO DE INVESTIGACION Y DESARROLLO TECNOLOGICO, S.A. DE C.V. (MX) | 2003-11-11 | — | — | US | claimed |
| US-20020111413-A1 | Rubber and Carbon Black | CID CENTRO DE INVESTIGACION Y DESARROLLO TECNOLOGICO, S.A. DE C.V. (MX) | 2002-08-15 | — | — | US | claimed |
| EP-0766720-B1 | ENERGY ABSORBING FABRIC COATING AND MANUFACTURING METHOD | OUTLAST TECHNOLOGIES INC (US) | 2004-04-14 | — | — | EP | disclosed |
| US-6660667-B2 | Fabric coating containing energy absorbing phase change material and method of manufacturing same | OUTLAST TECHNOLOGIES, INC. | 2003-12-09 | — | — | US | disclosed |
| EP-1362880-A2 | OILCLOTH AND LAMP BLACK | CID Centro de Investigacion y Desarrollo, Tecnologico S.A. de C.V. (MX) | 2003-11-19 | — | — | EP | disclosed |
| US-6646028-B2 | Rubber and carbon black | CID CENTRO DE INVESTIGACION Y DESARROLLO TECNOLOGICO, S.A. DE C.V. (MX) | 2003-11-11 | — | — | US | disclosed |
| US-6514362-B1 | Fabric coating containing energy absorbing phase change material and method of manufacturing same | OUTLAST TECHNOLOGIES, INC. | 2003-02-04 | — | — | US | disclosed |
| US-6503976-B2 | Coating composition for fabrics includes wetted microspheres containing paraffinic hydrocarbon phase change material dispersed throughout polymer binder, surfactant, dispersant, antifoam agent and thickener | OUTLAST TECHNOLOGIES, INC. | 2003-01-07 | — | — | US | disclosed |
| US-20020193028-A1 | Fabric coating containing energy absorbing phase change material and method of manufacturing same | GATEWAY TECHNOLOGIES, INC. | 2002-12-19 | — | — | US | disclosed |
| US-20020111413-A1 | Rubber and Carbon Black | CID CENTRO DE INVESTIGACION Y DESARROLLO TECNOLOGICO, S.A. DE C.V. (MX) | 2002-08-15 | — | — | US | disclosed |
| US-20010000517-A1 | Fabric coating containing energy absorbing phase change material and method of manufacturing same | GATEWAY TECHNOLOGIES, INC. (US) | 2001-04-26 | — | — | US | disclosed |
| US-6207738-B1 | WET COATING COMPOSITION COMPRISING POLYMER BINDER, THERMO-SET MICROSPHERES CONTAINING PHASE CHANGE MATERIAL, SURFACTANT, DISPERSANT, WATER, DRY ANTIFOAM AGENT | OUTLAST TECHNOLOGIES, INC. | 2001-03-27 | — | — | US | disclosed |
| EP-0766720-A4 | ENERGY ABSORBING FABRIC COATING AND MANUFACTURING METHOD | GATEWAY TECHNOLOGY (US) | 1999-01-13 | — | — | EP | disclosed |
| EP-0766720-A1 | ENERGY ABSORBING FABRIC COATING AND MANUFACTURING METHOD | GATEWAY TECHNOLOGIES, INC. (US) | 1997-04-09 | — | — | EP | disclosed |
| WO-1995034609-A1 | ENERGY ABSORBING FABRIC COATING AND MANUFACTURING METHOD | GATEWAY TECHNOLOGIES, INC. (US) | 1995-12-21 | — | — | WO | disclosed |
| US-4317543-A | Process for separating copper and iron minerals from molybdenite | OLIVARES JUAN P | 1982-03-02 | — | — | US | disclosed |
| US-4099376-A | AMMONIUM PERCHLORATE | THE B.F. GOODRICH COMPANY (US) | 1978-07-11 | — | — | US | disclosed |