Known targets — ChEMBL curated mechanism
ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 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 SCHEMBL11781928 | 0.94 | RECQL (0.65) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL9722552 | 0.94 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL3041223 | 0.94 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL4113 | 0.94 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL4987621 | 0.93 | RECQL (0.63) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL23781730 | 0.93 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL22588821 | 0.93 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL21465350 | 0.93 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL22588804 | 0.93 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL11580011 | 0.93 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104893857-A | Novel silk scarf used mothproof cleaning agent and preparation method thereof | MA JIANJIAN | 2015-09-09 | — | — | CN | claimed |
| EP-0076443-B1 | PROCESS FOR THE PREPARATION OF AN AQUEOUS EMULSION COATING FROM THICK CELLULOSIC PASTE | Wolff Walsrode Aktiengesellschaft (DE) | 1986-12-03 | — | — | EP | claimed |
| WO-2020043078-A1 | SALT FORM AND CRYSTAL FORM OF NOVEL AZATRICYCLIC COMPOUND AND USE THEREOF | 贝达药业股份有限公司 | 2020-03-05 | — | — | WO | disclosed |
| CN-104893857-A | Novel silk scarf used mothproof cleaning agent and preparation method thereof | MA JIANJIAN | 2015-09-09 | — | — | CN | disclosed |
| US-6218448-B1 | COMPRISING A CELLULOSE ESTER, A BINDER RESIN, WATER, AND OPTIONALLY A PLASTICISER, AN ORGANIC SOLVENT, AN EMULSIFIER, AND/OR A THICKENER, WHEREIN IN THAT AT LEAST A PORTION OF THE BINDER RESIN IS FUNCTIONALIZED WITH AN AMINO-FUNCTIONAL ACETAL | AKZO NOBEL N.V. (NL) | 2001-04-17 | — | — | US | disclosed |
| EP-0947570-A1 | Mixtures of pastes based on cellulose and the use thereof in coatings | Akzo Nobel N.V. (NL) | 1999-10-06 | — | — | EP | disclosed |
| US-4764548-A | Tile adhesive based on water-dilutable, cellulose-containing pastes | WOLFF WALSRODE AKTIENGESELLSCHAFT (DE) | 1988-08-16 | — | — | US | disclosed |
| US-4517324-A | LACQUERS | BAYER AKTIENGESELLSCHAFT (DE) | 1985-05-14 | — | — | US | disclosed |