Known targets — ChEMBL curated mechanism
S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetonitrile. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 2/20 | 0.81 |
| ▸ | TSHR | P16473 | 2/20 | 0.81 |
| ▸ | GLA | P06280 | 1/20 | 0.81 |
| ▸ | HPGD | P15428 | 1/20 | 0.81 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.81 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.81 |
| ▸ | BLM | P54132 | 1/20 | 0.81 |
| ▸ | CA1 | P00915 | 10/20 | 0.50 |
| ▸ | CA2 | P00918 | 10/20 | 0.50 |
| ▸ | CA9 | Q16790 | 8/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA6 | P23280 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 2/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.50 |
| ▸ | FGF1 | P05230 | 3/20 | 0.39 |
| ▸ | FGF2 | P09038 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Octadecyl Sulfate SCHEMBL28317801 | 1.00 | RECQL (0.81) | RECQLTSHRGLAHPGDMAPK1 | |
| Acetonitrile SCHEMBL28704759 | 0.96 | RECQL (0.76) | RECQLTSHRGLAHPGDMAPK1 | |
| Acetonitrile SCHEMBL28208935 | 0.95 | RECQL (0.73) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL1023737 | 0.92 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL28352580 | 0.92 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Octadecyl Sulfate SCHEMBL739215 | 0.92 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL771625 | 0.92 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL669056 | 0.92 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL7534502 | 0.92 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL28277065 | 0.92 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118286182-A | Metoprolol succinate microcapsule and preparation method thereof | 杭州沐源生物医药科技有限公司 | 2024-07-05 | — | — | CN | claimed |
| CN-118286182-A | Metoprolol succinate microcapsule and preparation method thereof | 杭州沐源生物医药科技有限公司 | 2024-07-05 | — | — | CN | disclosed |
| CN-118294551-A | Method for detecting impurity 2-bromo-4, 5-dimethoxy benzyl bromide in pinaverium bromide | 成都倍特药业股份有限公司 | 2024-07-05 | — | — | CN | disclosed |
| CN-117752630-A | Pharmaceutical composition containing pinaverium bromide, preparation method thereof and pharmaceutical preparation containing pharmaceutical composition | 苏州中化药品工业有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-117582445-A | Pivelum bromide co-processed matter, preparation method thereof and pharmaceutical preparation containing same | 苏州中化药品工业有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-115469031-A | Multi-vitamin detection method for fortified starch food | 浙江经贸职业技术学院 | 2022-12-13 | — | — | CN | disclosed |
| CN-105078893-A | Olanzapine with specific particle size and solid composition containing olanzapine with specific particle size | GUANGDONG HEC PHARMACEUTICAL | 2015-11-25 | — | — | CN | disclosed |
| CN-104133014-B | A kind of method investigating Buluoweima sustained release preparation release | GUANGZHOU PHARMALAB TECHNOLOGY CO., LTD. (CN) | 2015-09-16 | — | — | CN | disclosed |
| CN-104768552-A | Hydromorphone hydrochloride-containing oral sustained-release pharmaceutical composition | DAIICHI SANKYO CO LTD | 2015-07-08 | — | — | CN | disclosed |
| CN-104133014-A | Method for investigation of release degree of ibuprofen-pseudoephedrin hydrochloride sustained-release preparation | GUANGZHOU PHARMALAB TECHNOLOGY CO LTD | 2014-11-05 | — | — | CN | disclosed |