Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 2)
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL2370865 | 0.94 | — | — | |
| Acetonitrile SCHEMBL1483508 | 0.94 | TSHR (0.33) | TSHRALDH1A1 | |
| Acetonitrile SCHEMBL1148960 | 0.94 | — | — | |
| Acetonitrile SCHEMBL20357991 | 0.88 | — | — | |
| Acetonitrile SCHEMBL79033 | 0.88 | — | — | |
| Acetonitrile SCHEMBL6239339 | 0.88 | TSHR (0.31) | TSHRALDH1A1 | |
| Acetonitrile SCHEMBL10561604 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10790879 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10898984 | 0.88 | — | — | |
| Acetonitrile SCHEMBL19182435 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0828768-B1 | HOMOPOLYMERS AND COPOLYMERS OF CATIONICALLY POLYMERIZABLE MONOMERS AND METHOD OF THEIR PREPARATION | GOODRICH CO B F (US) | 2001-04-18 | — | — | EP | claimed |
| US-9468898-B2 | Reactor, reaction method, and reaction product | KOBE STEEL, LTD. (JP) | 2016-10-18 | — | — | US | disclosed |
| US-20150314258-A1 | REACTOR, REACTION METHOD, AND REACTION PRODUCT | KABUSHIKI KAISHA KOBE SEIKO SHO (KOBE STEEL, LTD.) (JP) | 2015-11-05 | — | — | US | disclosed |
| US-5569730-A | HAVING TERMINAL END GROUP DERIVED FROM CHAIN TRANSFER AGENT CONTAINING TERMINAL OLEFINIC DOUBLE BOND | THE B. F. GOODRICH COMPANY (US) | 1996-10-29 | — | — | US | disclosed |