Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
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 SCHEMBL28747282 | 0.92 | MAPK1 (0.31) | MAPK1 | |
| SCHEMBL5614141 | 0.79 | — | — | |
| SCHEMBL11582266 | 0.78 | — | — | |
| Acetonitrile SCHEMBL27539961 | 0.77 | — | — | |
| SCHEMBL28244218 | 0.76 | — | — | |
| Acetonitrile SCHEMBL28745506 | 0.72 | — | — | |
| SCHEMBL28653583 | 0.70 | KMT2A (0.37) | — | |
| SCHEMBL6667419 | 0.70 | HSD11B1 (0.37) | CYP3A4 | |
| SCHEMBL27651280 | 0.69 | — | — | |
| SCHEMBL9551675 | 0.69 | MAPK1 (0.31) | MAPK1 |
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-1670738-B1 | CATALYSED ACYLATION OF ALKYLATED BENZENE DERIVATIVES | COUNCIL SCIENT IND RES (IN) | 2011-02-16 | — | — | EP | claimed |
| EP-0488638-B1 | BF3 catalyzed acetylation of butylbenzene | HOECHST CELANESE CORP (US) | 1997-01-02 | — | — | EP | claimed |
| JP-2117631-A | — | — | None | — | — | JP | disclosed |
| JP-H02117631-A | PRODUCTION OF 1-(4'-ISOBUTYLPHENYL)ETHANOL | HOECHST CELANESE CORP | 1990-05-02 | — | — | JP | disclosed |