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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 6/20 | 0.37 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.37 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 6/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.37 |
| ▸ | PPARD | Q03181 | 6/20 | 0.37 |
| ▸ | PPARA | Q07869 | 6/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.37 |
| ▸ | TLR2 | O60603 | 2/20 | 0.37 |
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 SCHEMBL8469170 | 1.00 | RECQL (0.63) | RECQLTSHRTDP1CYP3A4ATM | |
| Docusate SCHEMBL8468204 | 1.00 | RECQL (0.63) | RECQLTSHRTDP1CYP3A4ATM | |
| Docusate SCHEMBL2636159 | 0.98 | RECQL (0.66) | RECQLTSHRTDP1CYP3A4ATM | |
| Docusate SCHEMBL23706351 | 0.98 | RECQL (0.66) | RECQLTSHRTDP1CYP3A4ATM | |
| Docusate SCHEMBL3146370 | 0.97 | RECQL (0.67) | RECQLTSHRTDP1CYP3A4ATM | |
| Docusate SCHEMBL4252993 | 0.93 | RECQL (0.69) | RECQLTSHRTDP1CYP3A4ATM | |
| Docusate SCHEMBL19305303 | 0.92 | RECQL (0.67) | RECQLTSHRTDP1CYP3A4ATM | |
| Docusate SCHEMBL6239044 | 0.92 | RECQL (0.74) | RECQLTSHRTDP1CYP3A4ATM | |
| Docusate SCHEMBL11709081 | 0.91 | RECQL (0.69) | RECQLTSHRTDP1CYP3A4ATM | |
| Docusate SCHEMBL465322 | 0.91 | RECQL (0.76) | RECQLTSHRTDP1CYP3A4ATM |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5942470-A | OIL SOLUBLE SULFUR CONTAINING PRESSURE AND ANTI-WEAR AGENT, AMINE SALT OF PHOSPHORUS ESTER, SUCCINIMIDE, AND ASHLESS DISPERSANTS | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1999-08-24 | — | — | US | disclosed |
| EP-0531585-B1 | Oil additive concentrates and lubricants of enhanced performance capabilities | ETHYL PETROLEUM ADDITIVES LTD (GB) | 1998-11-04 | — | — | EP | disclosed |
| EP-0531000-B1 | Oil additive concentrates and lubricants of enhanced performance capabilities | ETHYL PETROLEUM ADDITIVES INC (US) | 1997-02-05 | — | — | EP | disclosed |
| US-5464549-A | Oil soluble dispersants suitable for use in fuels and lubricants | ETHYL CORPORATION (US) | 1995-11-07 | — | — | US | disclosed |
| EP-0459656-B1 | Lubricant compositions | ETHYL PETROLEUM ADDITIVES INC (US) | 1995-09-20 | — | — | EP | disclosed |
| US-5358652-A | Using 3,5-dihydrocarbyl-4-hydroxybenzylamine compound | ETHYL PETROLEUM ADDITIVES, LIMITED (GB) | 1994-10-25 | — | — | US | disclosed |
| EP-0428393-B1 | GEAR OILS AND ADDITIVES THEREFOR | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1993-10-06 | — | — | EP | disclosed |
| US-5241003-A | Post-treated polyisobutenyl succinimide; crankcase, transmission oils | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1993-08-31 | — | — | US | disclosed |
| EP-0531585-A1 | Oil additive concentrates and lubricants of enhanced performance capabilities | ETHYL PETROLEUM ADDITIVES LIMITED (GB) | 1993-03-17 | — | — | EP | disclosed |
| EP-0531000-A1 | Oil additive concentrates and lubricants of enhanced performance capabilities | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1993-03-10 | — | — | EP | disclosed |
| US-5137980-A | Reacting polyisobutene with aacidic reactant; super atmospheric pressure; low tar rating | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1992-08-11 | — | — | US | disclosed |
| EP-0459656-A1 | Lubricant compositions | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1991-12-04 | — | — | EP | disclosed |
| EP-0430624-A1 | Gear oils and additives therefor | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1991-06-05 | — | — | EP | disclosed |
| EP-0428393-A1 | Gear oils and additives therefor | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1991-05-22 | — | — | EP | disclosed |