Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9462259 | 0.82 | CYP3A4 (0.51) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL9462057 | 0.80 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL332200 | 0.79 | CYP3A4 (0.49) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL296391 | 0.79 | CYP3A4 (0.67) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL29520218 | 0.79 | CYP3A4 (0.67) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL11680555 | 0.78 | CYP3A4 (0.56) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL1493132 | 0.76 | CYP3A4 (0.53) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL29466689 | 0.74 | CYP3A4 (0.61) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL740707 | 0.74 | CYP3A4 (0.61) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL15384 | 0.73 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0007778-B1 | VINYL ESTER URETHANES, METHOD FOR THEIR PREPARATION AND LAMINATE COMPOSITIONS CONTAINING THEM | ICI AMERICAS INC. (US) | 1983-07-20 | — | — | EP | disclosed |