Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 SCHEMBL7768989 | 0.88 | — | — | |
| Acetonitrile SCHEMBL27516310 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28253723 | 0.88 | — | — | |
| Acetonitrile SCHEMBL3135836 | 0.88 | — | — | |
| Acetonitrile SCHEMBL15638047 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10790879 | 0.88 | — | — | |
| Acetonitrile SCHEMBL6693864 | 0.87 | — | — | |
| Acetonitrile SCHEMBL1330624 | 0.87 | — | — | |
| Acetonitrile SCHEMBL10523138 | 0.87 | — | — | |
| Acetonitrile SCHEMBL1330705 | 0.87 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1930135-B | As P2X3And P2X2/3Diaminopyrimidines as antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-28 | — | — | CN | disclosed |
| EP-2346880-A2 | INDOLE DERIVATIVES SUITABLE FOR IMAGING NEUROINFLAMMATION | GE Healthcare Limited (GB) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010037851-A2 | IMAGING NEUROINFLAMMATION | GE HEALTHCARE LIMITED (GB) | 2010-04-08 | — | — | WO | disclosed |
| CN-100447139-C | Benzenesulfonylamino compounds and pharmaceutical compositions containing these compounds | NOVARTIS AG (CH) | 2008-12-31 | — | — | CN | disclosed |
| CN-1930135-A | As P2X3And P2X2/3Diaminopyrimidines as antagonists | HOFFMANN LA ROCHE (CH) | 2007-03-14 | — | — | CN | disclosed |
| CN-1816546-A | Benzenesulfonylamino compounds and pharmaceutical compositions containing these compounds | NOVARTIS AG (CH) | 2006-08-09 | — | — | CN | disclosed |
| EP-0919544-B1 | Compounds useful for treating allergic and inflammatory diseases | SMITHKLINE BEECHAM CORP (US) | 2003-05-14 | — | — | EP | disclosed |