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 19)
| 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 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 SCHEMBL19305303 | 0.99 | RECQL (0.67) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL3146370 | 0.96 | RECQL (0.67) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL23706351 | 0.95 | RECQL (0.66) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL2636159 | 0.95 | RECQL (0.66) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL3041223 | 0.94 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL4113 | 0.94 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL9722552 | 0.94 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL8468326 | 0.93 | RECQL (0.63) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL8469170 | 0.93 | RECQL (0.63) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL8468204 | 0.93 | RECQL (0.63) | 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109053936-B | Preparation method of polyvinyl butyral resin | 吉林吉诺树脂科技有限公司 | 2020-07-07 | — | — | CN | claimed |
| CN-109679596-A | A kind of application method of the slurry coat method with magnetosensitive thickening power | 沈阳建筑大学 | 2019-04-26 | — | — | CN | claimed |
| CN-109665757-A | A kind of slurry coat method with magnetosensitive thickening power, preparation method and application | 沈阳建筑大学 | 2019-04-23 | — | — | CN | claimed |
| CN-108744016-A | A kind of preparation method of the medical adhesive-bonded fabric dressing of moisture absorption anti-inflammatory | 望江汇通纺织有限公司 | 2018-11-06 | — | — | CN | claimed |
| CN-101785455-B | Pesticide oil suspension agent and preparation method thereof | NOPOSION CORP | 2013-03-06 | — | — | CN | claimed |
| CN-101785455-A | Pesticide oil suspension agent and preparation method thereof | NOPOSION CORP | 2010-07-28 | — | — | CN | claimed |
| CN-104556856-B | Anti-corrosion resistance-reducing conductive concrete for acid soil area | 国网四川省电力公司南充供电公司 | 2021-08-17 | — | — | CN | disclosed |
| CN-111087037-A | Method for improving oil-water separation effect of O/W type produced liquid and produced water containing anionic polymer | 大庆油田有限责任公司 | 2020-05-01 | — | — | CN | disclosed |
| CN-110157393-A | Drilling fluid proposes viscous extracting and cutting agent and preparation method with nanofiber-xanthan gum compound | 滨州学院 | 2019-08-23 | — | — | CN | disclosed |
| CN-107001647-B | Resistant thermoplastic resin, the thermoplastic resin composition comprising the resistant thermoplastic resin and the method for preparing the composition | LG化学株式会社 | 2019-07-16 | — | — | CN | disclosed |
| CN-109852130-A | Emulsified ink for porous printing | 理想科学工业株式会社 | 2019-06-07 | — | — | CN | disclosed |
| CN-109810678-A | Mud shale stratum sealing agent and preparation method of the drilling fluid based on nanofiber composite | 中石化石油工程技术服务有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-109679596-A | A kind of application method of the slurry coat method with magnetosensitive thickening power | 沈阳建筑大学 | 2019-04-26 | — | — | CN | disclosed |
| CN-101098691-B | Andrographolide derivatives to treat viral infections | CORNELL RES FOUNDATION INC | 2012-09-05 | — | — | CN | disclosed |
| CN-101785455-A | Pesticide oil suspension agent and preparation method thereof | NOPOSION CORP | 2010-07-28 | — | — | CN | disclosed |
| CN-100542407-C | Plant germination inhibitors and methods of use thereof | MIYAUCHI SHINNOSUKE FUKUOKA WO (JP) | 2009-09-23 | — | — | CN | disclosed |
| US-7496324-B2 | Lubricant applying unit and image forming apparatus | RICOH COMPANY, LTD. (JP) | 2009-02-24 | — | — | US | disclosed |
| CN-101098691-A | Andrographolide derivatives to treat viral infections | CORNELL RES FOUNDATION INC (US) | 2008-01-02 | — | — | CN | disclosed |
| CN-1956656-A | Plant germination inhibitors and methods of use thereof | MIYAUCHI SHINNOSUKE (JP) | 2007-05-02 | — | — | CN | disclosed |
| US-20060133872-A1 | Lubricant applying unit and image forming apparatus | RICOH COMPANY, LTD. (JP) | 2006-06-22 | — | — | US | disclosed |