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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28307139 | 0.80 | — | — | |
| Formic Acid SCHEMBL16649257 | 0.78 | — | — | |
| Formic Acid SCHEMBL18399043 | 0.78 | — | — | |
| Formic Acid SCHEMBL8317739 | 0.78 | — | — | |
| Cyanamide SCHEMBL31302255 | 0.77 | — | — | |
| Acetonitrile SCHEMBL27750816 | 0.75 | — | — | |
| Acetonitrile SCHEMBL27682273 | 0.75 | — | — | |
| Acetonitrile SCHEMBL28217639 | 0.74 | — | — | |
| Formic Acid SCHEMBL30564965 | 0.73 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL1332681 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118240223-A | Preparation method and application of photocatalysis olefin fluorine-containing group-oriented functionalized anthraquinone-based metal organic framework photocatalyst | 大连理工大学 | 2024-06-25 | — | — | CN | disclosed |
| CN-116263423-A | High-flux metabolite detection method based on direct sample injection high-resolution mass spectrum | 中国科学院大连化学物理研究所 | 2023-06-16 | — | — | CN | disclosed |
| CN-116196886-A | Manufacturing method and application of three-dimensional cage-shaped structure chromatographic packing for high performance liquid chromatography | 金华市计量质量科学研究院 | 2023-06-02 | — | — | CN | disclosed |
| CN-102639481-B | Process for preparing highly fluorinated carboxylic acids and their salts | 3M INNOVATIVE PROPERTIES CO. (US) | 2016-01-06 | — | — | CN | disclosed |