Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11030596 | 1.00 | CYP1A2 (0.30) | CYP1A2 | |
| SCHEMBL81453 | 0.80 | MAPK1 (0.37) | CYP1A2 | |
| SCHEMBL2250242 | 0.78 | ALDH1A1 (0.31) | CYP1A2 | |
| SCHEMBL2250239 | 0.78 | ALDH1A1 (0.31) | CYP1A2 | |
| SCHEMBL11029580 | 0.76 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL11029581 | 0.76 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL10883335 | 0.70 | TET2 (0.34) | CYP1A2 | |
| SCHEMBL11047102 | 0.69 | — | — | |
| SCHEMBL11047098 | 0.69 | — | — | |
| SCHEMBL21800956 | 0.69 | TSHR (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0045861-B1 | UNSATURATED COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AS PERFUMES AND THE PERFUMED COMPOSITIONS CONTAINING THEM | L. GIVAUDAN & CIE Société Anonyme (CH) | 1984-10-03 | — | — | EP | claimed |
| US-4426321-A | Odorant alkadienyl ketones, alcohols and oximes | GIVAUDAN CORPORATION (US) | 1984-01-17 | — | — | US | claimed |
| EP-0045861-A2 | Unsaturated compounds, process for their preparation, their use as perfumes and the perfumed compositions containing them | L. GIVAUDAN & CIE Société Anonyme (CH) | 1982-02-17 | — | — | EP | claimed |
| EP-0045861-B1 | UNSATURATED COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AS PERFUMES AND THE PERFUMED COMPOSITIONS CONTAINING THEM | L. GIVAUDAN & CIE Société Anonyme (CH) | 1984-10-03 | — | — | EP | disclosed |
| US-4426321-A | Odorant alkadienyl ketones, alcohols and oximes | GIVAUDAN CORPORATION (US) | 1984-01-17 | — | — | US | disclosed |
| EP-0045861-A2 | Unsaturated compounds, process for their preparation, their use as perfumes and the perfumed compositions containing them | L. GIVAUDAN & CIE Société Anonyme (CH) | 1982-02-17 | — | — | EP | disclosed |