Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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.
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL2424968 | 1.00 | — | — | |
| Acetonitrile SCHEMBL27613489 | 0.96 | ALDH1A1 (0.46) | — | |
| Acetonitrile SCHEMBL195728 | 0.96 | — | — | |
| Acetonitrile SCHEMBL2255717 | 0.96 | — | — | |
| Acetonitrile SCHEMBL1037904 | 0.96 | ALDH1A1 (0.55) | — | |
| Acetonitrile SCHEMBL7327719 | 0.96 | ALDH1A1 (0.55) | — | |
| Acetonitrile SCHEMBL9188145 | 0.96 | ALDH1A1 (0.55) | — | |
| Acetonitrile SCHEMBL27696068 | 0.96 | — | — | |
| Acetonitrile SCHEMBL4422203 | 0.92 | — | — | |
| Acetonitrile SCHEMBL9044559 | 0.92 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113621144-A | Magnetoelectric response bionic hydrogel and magnetoelectric response bionic hydrogel capable of adjusting cell electricity microenvironment and preparation method thereof | 四川大学 | 2021-11-09 | — | — | CN | disclosed |
| US-7384961-B2 | Saturated and unsaturated heteroarylcycloalkylmethyl amines as anti-depressants | GRUENENTHAL GMBH (DE) | 2008-06-10 | — | — | US | disclosed |
| US-20060025456-A1 | Saturated and unsaturated heteroarylcycloalkylmethyl amines as anti-depressants | GRUENENTHAL GMBH (DE) | 2006-02-02 | — | — | US | disclosed |