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 SCHEMBL8334309 | 0.99 | RECQL (0.74) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL11800314 | 0.99 | RECQL (0.74) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL3041223 | 0.99 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL9722552 | 0.99 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL4113 | 0.99 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL2917968 | 0.97 | RECQL (0.72) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL3176739 | 0.97 | RECQL (0.72) | 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 |
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 652 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3894475-B1 | ASSEMBLY COMPONENTS COMPRISING CURABLE COMPOSITIONS CONTAINING ACETOACETYLATED RESINS | EASTMAN CHEM CO (US) | 2024-06-19 | — | — | EP | claimed |
| US-20240117116-A1 | METHOD FOR PREPARING POLYPHENYLENE OXIDE | LG CHEM, LTD. (KR) | 2024-04-11 | — | — | US | claimed |
| CN-117637284-A | Halbach shimming coil based on liquid metal, preparation process and application thereof in nuclear magnetic resonance spectrometer shimming field | 深圳市乾丰智能有限公司 | 2024-03-01 | — | — | CN | claimed |
| WO-2023249481-A1 | ASHLESS IONIC LIQUID | PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) | 2023-12-28 | — | — | WO | claimed |
| US-11820923-B2 | Controlled cure for compositions comprising acetoacetylated resins | EASTMAN CHEMICAL COMPANY (US) | 2023-11-21 | — | — | US | claimed |
| EP-4273186-A1 | METHOD FOR PREPARING POLYPHENYLENE OXIDE | Lg Chem, Ltd. (KR) | 2023-11-08 | — | — | EP | claimed |
| CN-113195633-B | Curable compositions comprising acetoacetylated resin, aldehyde, and certain amines | 伊士曼化工公司 | 2023-11-07 | — | — | CN | claimed |
| EP-3894474-B1 | CURABLE COMPOSITIONS COMPRISING ACETOACETYLATED RESINS, ALDEHYDES AND CERTAIN AMINES | EASTMAN CHEM CO (US) | 2023-09-13 | — | — | EP | claimed |
| CN-116715564-A | Styrene green polymerization inhibitor and preparation method thereof | 江苏太湖新材料控股有限公司 | 2023-09-08 | — | — | CN | claimed |
| CN-113260673-B | Assembly comprising a curable composition comprising an acetoacetylated resin | 伊士曼化工公司 | 2023-08-08 | — | — | CN | claimed |
| US-20060264352-A1 | Low solids, high viscosity fabric softener compositions and process for making the same | STEPAN COMPANY | 2006-11-23 | — | — | US | claimed |
| WO-2006125147-A2 | LOW SOLIDS, HIGH VISCOSITY FABRIC SOFTENER COMPOSITIONS AND PROCESS FOR MAKING THE SAME | STEPAN COMPANY (US) | 2006-11-23 | — | — | WO | claimed |
| WO-2006052042-A1 | PREPARA ON METHOD OF MAGNETIC AND METAL OXIDE NANOPAR CLES | YONSEI UNIVERSITY (KR) | 2006-05-18 | — | — | WO | claimed |
| US-20060062720-A1 | Method of preparing cadmium sulfide nanocrystals emitting light at multiple wavelengths, and cadmium sulfide nanocrystals prepared by the method | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2006-03-23 | — | — | US | claimed |
| US-6682913-B1 | CULTIVATING A STRAIN OF MORTIERELLA MACULATA FILAMENTOUS MOLD SPECIES THAT IS ABLE TO 6 BETA -HYDROXYLATE AN INTERMEDIATE | INSTITUTE FOR DRUG RESEARCH LTD. (HU) | 2004-01-27 | — | — | US | claimed |
| US-5122186-A | Alylamine, hydoxylated polymerized oil, acidic resin dissolved in hydrophobic hydroxylic solvent | BASF CORPORATION (US) | 1992-06-16 | — | — | US | claimed |
| US-4906389-A | Method for reducing piston deposits | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1990-03-06 | — | — | US | claimed |
| US-4790958-A | PRECIPITATION BY SUBSTITUTED AMMONIUM, PHOSPHONIUM OR SULFONIUM IONS; THICKENING | THE DOW CHEMICAL COMPANY (US) | 1988-12-13 | — | — | US | claimed |
| US-4764298-A | Lubrication anti-wear additive | UNION OIL COMPANY OF CALIFORNIA (US) | 1988-08-16 | — | — | US | claimed |
| US-4522984-A | WITH E-CAPROLACTONE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1985-06-11 | — | — | US | claimed |