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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
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 SCHEMBL9722552 | 0.99 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL4113 | 0.99 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL3041223 | 0.99 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL11580011 | 0.97 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL22588804 | 0.97 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL23781730 | 0.97 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL22588821 | 0.97 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL21465350 | 0.97 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL465322 | 0.97 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL1254562 | 0.97 | RECQL (0.76) | 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101124252-B | Metallocene catalysts, their synthesis and use in olefin polymerization | NOVOLEN TECH HOLDINGS CV | 2011-10-05 | — | — | CN | claimed |
| CN-1946748-B | Metallocene ligands, metallocene compounds and metallocene catalysts, their synthesis and their use for the polymerization of olefins | NOVOLEN TECH HOLDINGS CV | 2011-04-06 | — | — | CN | claimed |
| CN-101124252-A | Metallocene catalysts, their synthesis and use in olefin polymerization | NOVOLEN TECH HOLDINGS CV (NL) | 2008-02-13 | — | — | CN | claimed |
| CN-1946748-A | Metallocene ligands, metallocene compounds and metallocene catalysts, their synthesis and their use for the polymerization of olefins | NOVOLEN TECH HOLDINGS CV (NL) | 2007-04-11 | — | — | CN | claimed |
| US-5028672-A | Catalyst and process for polymerization of norbornene derivatives | SHELL OIL COMPANY (US) | 1991-07-02 | — | — | US | claimed |
| CN-1045267-A | The polymerization process of huge norbornene derivative and the polymkeric substance that makes thus | SHELL INT RESEARCH (NL) | 1990-09-12 | — | — | CN | claimed |
| CN-1042920-A | The copolyreaction of Dicyclopentadiene (DCPD) and norbornene derivative and gained multipolymer thereof | SHELL INT RESEARCH (NL) | 1990-06-13 | — | — | CN | claimed |
| CN-105229016-B | Pass through the saturation and unsaturation silahydrocarbons of the olefinic silane that iron and cobalt pyridine diimine are catalyzed | 莫门蒂夫性能材料股份有限公司 | 2018-11-27 | — | — | CN | disclosed |
| CN-107809995-A | The method for forming the particle with cross-linked coating for cosmetic applications | ELC 管理有限责任公司 | 2018-03-16 | — | — | CN | disclosed |
| CN-107787216-A | Particles with crosslinked coating for cosmetic applications | ELC 管理有限责任公司 | 2018-03-09 | — | — | CN | disclosed |
| CN-107075399-A | Pressure medium oil and method for using the same | 出光兴产株式会社 | 2017-08-18 | — | — | CN | disclosed |
| CN-105601957-B | Polyethylene powder | 旭化成株式会社 | 2017-04-12 | — | — | CN | disclosed |
| CN-105601957-A | Polyethylene powder | ASAHI KASEI CORP | 2016-05-25 | — | — | CN | disclosed |
| CN-1022109-C | Process for polymerization of structurally different monomers | SHELL INT RESEARCH (NL) | 1993-09-15 | — | — | CN | disclosed |
| US-5028672-A | Catalyst and process for polymerization of norbornene derivatives | SHELL OIL COMPANY (US) | 1991-07-02 | — | — | US | disclosed |
| US-4994426-A | Catalyst and process for polymerization of norbornene derivatives | SHELL OIL COMPANY (US) | 1991-02-19 | — | — | US | disclosed |
| CN-1045267-A | The polymerization process of huge norbornene derivative and the polymkeric substance that makes thus | SHELL INT RESEARCH (NL) | 1990-09-12 | — | — | CN | disclosed |
| CN-1043324-A | The monomeric polymerization process that structure is different | SHELL INT RESEARCH (NL) | 1990-06-27 | — | — | CN | disclosed |
| EP-0336486-A2 | Polymerization of norbornene derivatives and catalytic system suitable for use therein | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-10-11 | — | — | EP | disclosed |
| US-4683321-A | ALKYLATION | ETHYL CORPORATION (US) | 1987-07-28 | — | — | US | disclosed |