Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL162457 | 0.80 | MAPK1 (0.38) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL26672083 | 0.73 | MAPK1 (0.40) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL27873 | 0.72 | TDP1 (0.54) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL10615043 | 0.72 | TDP1 (0.54) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL1909839 | 0.71 | ALDH1A1 (0.41) | TDP1TSHR | |
| SCHEMBL27621561 | 0.70 | TDP1 (0.52) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL8054098 | 0.70 | KMT2A (0.44) | MAPK1 | |
| SCHEMBL12841087 | 0.70 | SLC5A2 (0.39) | CYP3A4 | |
| SCHEMBL11344825 | 0.69 | KMO (0.49) | CYP3A4TRPA1MAPK1TDP1 | |
| SCHEMBL22966418 | 0.69 | KMO (0.49) | CYP3A4TRPA1MAPK1TDP1 |
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-7714018-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2010-05-11 | — | — | US | disclosed |