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 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 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 SCHEMBL9722552 | 0.96 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL4113 | 0.96 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL3041223 | 0.96 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL11452363 | 0.95 | RECQL (0.72) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL23781730 | 0.95 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL22588821 | 0.95 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL11580011 | 0.95 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL22588804 | 0.95 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL21465350 | 0.95 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL465322 | 0.95 | 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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109575774-A | A kind of colorful anticorrosive water paint of rare earth and preparation method thereof | 中国科学院包头稀土研发中心 | 2019-04-05 | — | — | CN | claimed |
| CN-114956999-A | Method for improving esterification reaction rate and product yield of PTA oxidation residue | 泰兴市福昌环保科技有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-110698364-B | Method for synthesizing mono/dialkyl sodium benzenesulfonate | 太原理工大学 | 2022-06-21 | — | — | CN | disclosed |
| CN-110698364-A | Method for synthesizing mono/dialkyl sodium benzenesulfonate | 太原理工大学 | 2020-01-17 | — | — | CN | disclosed |
| CN-106008269-B | Polyisocyantates composition and isocyanate polymer composition | 旭化成株式会社 | 2018-10-19 | — | — | CN | disclosed |
| CN-107963982-A | Polyisocyantates composition and isocyanate polymer composition | 旭化成株式会社 | 2018-04-27 | — | — | CN | disclosed |
| CN-104619682-B | Polyisocyanate composition and isocyanate polymer composition | 旭化成株式会社 | 2018-01-19 | — | — | CN | disclosed |
| CN-107406798-A | Lubricant for refrigerator and mixed composition for refrigerator | 出光兴产株式会社 | 2017-11-28 | — | — | CN | disclosed |
| CN-105833791-B | Surfactant containing o-nitrobenzyl ester photodegradation group and preparation method thereof | 大连理工大学 | 2017-10-24 | — | — | CN | disclosed |
| CN-107056656-A | Polyisocyantates composition and isocyanate polymer composition | 旭化成株式会社 | 2017-08-18 | — | — | CN | disclosed |
| CN-106008269-A | POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION | 旭化成株式会社 | 2016-10-12 | — | — | CN | disclosed |
| CN-105924370-A | Polyisocyanate Composition And Isocyanate Polymer Composition | 旭化成株式会社 | 2016-09-07 | — | — | CN | disclosed |
| CN-104619682-A | Polyisocyanate composition and isocyanate polymer composition | ASAHI KASEI CHEMICALS CORP | 2015-05-13 | — | — | CN | disclosed |
| CN-101305083-B | Refrigerating machine oil | IDEMITSU KOSAN CO | 2012-12-19 | — | — | CN | disclosed |
| CN-1606110-B | Solid electrolytic capacitor | SANYO ELECTRIC CO | 2011-03-23 | — | — | CN | disclosed |
| CN-101305083-A | Refrigerating machine oil | IDEMITSU KOSAN CO (JP) | 2008-11-12 | — | — | CN | disclosed |
| CN-1606110-A | Solid electrolytic capacitor | SANYO ELECTRIC CO (JP) | 2005-04-13 | — | — | CN | disclosed |
| EP-1176125-A1 | Corrosion inhibitor for cementitious compositions | Akzo Nobel N.V. (NL) | 2002-01-30 | — | — | EP | disclosed |