Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NT5E | P21589 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 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 | |
|---|---|---|---|---|
| N,N-Dimethylethanaminium SCHEMBL5172843 | 0.92 | GLA (0.46) | GLAALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL4190453 | 0.92 | ALDH1A1 (0.46) | ALDH1A1MAPTTDP1L3MBTL1LMNA | |
| Trimethylammonium SCHEMBL4596013 | 0.88 | GLA (0.47) | GLAALDH1A1MAPTTDP1L3MBTL1 | |
| Acetone SCHEMBL3943343 | 0.87 | ALDH1A1 (0.43) | ALDH1A1MAPTTDP1L3MBTL1LMNA | |
| Trimethylammonium SCHEMBL8167299 | 0.86 | GLA (0.46) | GLAALDH1A1MAPTTDP1L3MBTL1 | |
| Acetonitrile SCHEMBL29256909 | 0.86 | ALDH1A1 (0.52) | GLAALDH1A1MAPTTDP1L3MBTL1 | |
| Acetonitrile SCHEMBL318491 | 0.86 | ALDH1A1 (0.52) | GLAALDH1A1MAPTTDP1L3MBTL1 | |
| Acetonitrile SCHEMBL17474635 | 0.86 | ALDH1A1 (0.52) | GLAALDH1A1MAPTTDP1L3MBTL1 | |
| Acetonitrile SCHEMBL9780143 | 0.84 | ALDH1A1 (0.50) | GLAALDH1A1MAPTTDP1L3MBTL1 | |
| Acetonitrile SCHEMBL28546118 | 0.84 | ALDH1A1 (0.50) | GLAALDH1A1MAPTTDP1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1920041-A1 | WASHING AND CLEANING AGENTS CONTAINING 1,3,5-TRIACETYL-2,4-DIOXO-1,3,5-HEXAHYDROTRIAZINE AS A BLEACH ACTIVATOR | Clariant Produkte (Deutschland) GmbH (DE) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007017216-A1 | WASHING AND CLEANING AGENTS CONTAINING 1,3,5-TRIACETYL-2,4-DIOXO-1,3,5-HEXAHYDROTRIAZINE AS A BLEACH ACTIVATOR | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2007-02-15 | — | — | WO | disclosed |