Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.60 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12600355 | 0.83 | MAPK1 (0.52) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL296391 | 0.80 | CYP3A4 (0.67) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL29520218 | 0.80 | CYP3A4 (0.67) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL15620862 | 0.78 | MAPK1 (0.47) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL9859314 | 0.78 | MAPK1 (0.68) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL18473972 | 0.78 | CYP3A4 (0.58) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL7158060 | 0.75 | CYP3A4 (0.60) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL14606239 | 0.75 | CYP3A4 (0.60) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL15384 | 0.75 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL49899 | 0.75 | TDP1 (0.70) | 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-2644378-B1 | Method of making planographic printing plate and planographic printing plate | FUJIFILM CORP (JP) | 2015-03-25 | — | — | EP | disclosed |