Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 SCHEMBL1498211 | 0.99 | RECQL (0.94) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL5987875 | 0.99 | RECQL (0.94) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL10998529 | 0.99 | RECQL (0.94) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL8979655 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL8930650 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL385233 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL8032873 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL8080919 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL6840848 | 0.97 | RECQL (0.92) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL23883099 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0412759-B1 | Heat-curable type resinous composition and moulded article prepared therefrom | NIPPON PAINT CO LTD (JP) | 1996-05-08 | — | — | EP | disclosed |
| EP-0342064-B1 | A thermosetting resinous composition and preparation of heat resisting coating and molded product using said composition | NIPPON PAINT CO LTD (JP) | 1995-02-15 | — | — | EP | disclosed |
| US-5200540-A | REFINING PROCESS OF ORGANIC TIN (IV) POLYHALIDES | KORIYAMA KASEI CO., LTD. (JP) | 1993-04-06 | — | — | US | disclosed |
| US-5126423-A | Forming heat-resistant moldings of polyoxazolidones; catalyst selectivity | NIPPON PAINT CO., LTD. (JP) | 1992-06-30 | — | — | US | disclosed |
| US-5086152-A | Complex of organs antimory halide and zinc ralide as catalyst | NIPPON PAINT CO., LTD. (JP) | 1992-02-04 | — | — | US | disclosed |
| EP-0412759-A2 | Heat-curable type resinous composition and moulded article prepared therefrom | NIPPON PAINT CO., LTD. (JP) | 1991-02-13 | — | — | EP | disclosed |
| EP-0342064-A2 | A thermosetting resinous composition and preparation of heat resisting coating and molded product using said composition | NIPPON PAINT CO., LTD. (JP) | 1989-11-15 | — | — | EP | disclosed |