Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 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 SCHEMBL329779 | 0.99 | RECQL (0.94) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL8979655 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL6840848 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL1395966 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL6546555 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL23883099 | 0.97 | RECQL (0.97) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL1996246 | 0.97 | RECQL (0.97) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL29959 | 0.97 | RECQL (0.97) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL157076 | 0.97 | RECQL (0.97) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL2310065 | 0.97 | RECQL (0.97) | 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0266587-B1 | THERMALLY ACTIVATED TWO COMPONENT METATHESIS CATALYST SYSTEM | HERCULES INCORPORATED (US) | 1993-09-08 | — | — | EP | claimed |
| EP-0344693-A2 | Improving the physical properties of glass composite polydicyclopentadiene by heat treatment | HERCULES INCORPORATED (US) | 1989-12-06 | — | — | EP | claimed |
| EP-0266587-A2 | Thermally activated two component metathesis catalyst system | HERCULES INCORPORATED (US) | 1988-05-11 | — | — | EP | claimed |
| WO-2020085306-A1 | METAL-OXO COMPLEX AND METHOD FOR PRODUCTION THEREOF | RIMTEC株式会社 | 2020-04-30 | — | — | WO | disclosed |
| EP-2780306-B1 | LIQUID MOLDING RESIN WITH NONSWELLING MICA | METTON AMERICA INC (US) | 2017-08-09 | — | — | EP | disclosed |
| EP-2780306-A2 | LIQUID MOLDING RESIN WITH NONSWELLING MICA | Metton America, Inc. (US) | 2014-09-24 | — | — | EP | disclosed |
| US-20130131405-A1 | LIQUID MOLDING RESIN WITH NONSWELLING MICA | METTON AMERICA, INC. (US) | 2013-05-23 | — | — | US | disclosed |
| WO-2013074719-A2 | LIQUID MOLDING RESIN WITH NONSWELLING MICA | METTON AMERICA, INC. (US) | 2013-05-23 | — | — | WO | disclosed |
| US-20090292057-A1 | COMPOSITION FOR REACTIVE INJECTION MOLDING AND REACTIVE INJECTION MOLDED ARTICLE | BUSSAN NANOTECH RESEARCH INSTITUTE INC. (JP) | 2009-11-26 | — | — | US | disclosed |
| EP-1939255-A1 | COMPOSITION FOR REACTION INJECTION MOLDING AND OBJECT MOLDED BY REACTION INJECTION MOLDING | Bussan Nanotech Research Institute Inc. (JP) | 2008-07-02 | — | — | EP | disclosed |
| US-6787617-B1 | FORMING NARROW MOLECULAR WEIGHT HOMOPOLYMERS AS INTERMEDIATES TO BLOCK OR TERMINAL FUNCTIONALIZED POLYMERS; HAFNIUM OR ZIRCONIUM CYCLOPENTADIENYL FUNCTIONALIZED CATALYSTS WITH TRIPHENYLBORON AND TRIALKYLALUMINUM COMPOUNDS | JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2004-09-07 | — | — | US | disclosed |
| US-4883849-A | SECONDARY OR TERTIARY AMINES, REACTION INJECTION MOLDING | HERCULES INCORPORATED (US) | 1989-11-28 | — | — | US | disclosed |
| US-4882401-A | Slow gel/cure systems based on dialkylzinc for dicyclopentadiene polymerization | HERCULES INCORPORATED (US) | 1989-11-21 | — | — | US | disclosed |
| EP-0327947-A2 | Black-pigmented polymeric compositions of matter | HERCULES INCORPORATED (US) | 1989-08-16 | — | — | EP | disclosed |
| US-4826942-A | POLYMERIZATION OF DICYCLOPENTADIENE | HERCULES INCORPORATED (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0304900-A2 | Strained ring cycloolefin polymer catalyst stream and process for making polymer | HERCULES INCORPORATED (US) | 1989-03-01 | — | — | EP | disclosed |
| EP-0294620-A2 | Rate moderated two component metathesis catalyst system | HERCULES INCORPORATED (US) | 1988-12-14 | — | — | EP | disclosed |
| EP-0266587-A2 | Thermally activated two component metathesis catalyst system | HERCULES INCORPORATED (US) | 1988-05-11 | — | — | EP | disclosed |
| US-4727125-A | NUCLEOPHILIC LEWIS BASES AS REACTION RATE MODIFIERS | HERCULES INCORPORATED (US) | 1988-02-23 | — | — | US | disclosed |
| US-4066683-A | PROCESS FOR THE PREPARATION OF DIAMINOMALEONITRILE | NIPPON CHEMICALS CO., LTD. (JA) | 1978-01-03 | — | — | US | disclosed |