Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Propionitrile. 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 | |
|---|---|---|---|---|
| Propionitrile SCHEMBL27958978 | 0.88 | — | — | |
| Propionitrile SCHEMBL14482752 | 0.88 | ALDH1A1 (0.69) | — | |
| Propionitrile SCHEMBL15170014 | 0.88 | ALDH1A1 (0.69) | — | |
| Propionitrile SCHEMBL28077483 | 0.87 | — | — | |
| Propionitrile SCHEMBL28117218 | 0.87 | — | — | |
| Propionitrile SCHEMBL27701221 | 0.87 | — | — | |
| Propionitrile SCHEMBL15485 | 0.87 | — | — | |
| Propionitrile SCHEMBL2872825 | 0.87 | — | — | |
| Propionitrile SCHEMBL2988761 | 0.85 | — | — | |
| Propionitrile SCHEMBL29047754 | 0.85 | ALDH1A1 (0.64) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116272944-A | Hydrotalcite-based strong-alkalinity solid catalyst and method for catalyzing alcohol propionitrile alkylation by using same | 常州大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-111362975-B | Naphthyridine compounds as JAK kinase inhibitors | 施万生物制药研发IP有限责任公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-111362975-A | Naphthyridine compounds as JAK kinase inhibitors | 施万生物制药研发IP有限责任公司 | 2020-07-03 | — | — | CN | disclosed |
| CN-107667108-B | Naphthyridine compounds as JAK kinase inhibitors | 施万生物制药研发IP有限责任公司 | 2020-05-12 | — | — | CN | disclosed |
| US-20100113550-A1 | New Crystal Forms | BIAL - PORTELA AND CA, S.A. (PT) | 2010-05-06 | — | — | US | disclosed |