Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12488145 | 0.82 | CYP3A4 (0.43) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL11402198 | 0.82 | GRIN2D (0.44) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL9182132 | 0.79 | TDP1 (0.43) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL707227 | 0.79 | MAPK1 (0.41) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL15005578 | 0.78 | MAPK1 (0.44) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL476029 | 0.78 | CYP3A4 (0.40) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL15652627 | 0.78 | CYP3A4 (0.40) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL10402481 | 0.77 | CYP3A4 (0.42) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL10651423 | 0.77 | CYP3A4 (0.42) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL8829113 | 0.75 | PTGS1 (0.51) | CYP3A4MAPK1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4323388-A | Cyanoalkyl-phenylureas having selective herbicidal activity | CIBA-GEIGY CORPORATION (US) | 1982-04-06 | — | — | US | disclosed |