Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TPMT | P51580 | 1/20 | 0.30 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL59852 | 0.93 | CYP3A4 (0.48) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| Benzene SCHEMBL28982643 | 0.88 | CYP3A4 (0.45) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL109084 | 0.88 | CYP3A4 (0.48) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL11770550 | 0.80 | CYP3A4 (0.39) | CYP3A4TRPA1 | |
| SCHEMBL661381 | 0.80 | ALDH1A1 (0.44) | CYP3A4MAPK1TDP1TSHRALDH1A1 | |
| SCHEMBL11203837 | 0.80 | ALDH1A1 (0.44) | CYP3A4MAPK1TDP1TSHRALDH1A1 | |
| SCHEMBL108870 | 0.80 | ALDH1A1 (0.44) | CYP3A4MAPK1TDP1TSHRALDH1A1 | |
| Toluene SCHEMBL29263225 | 0.79 | CYP3A4 (0.43) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL5444503 | 0.78 | MAPK1 (0.44) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL30692018 | 0.78 | CYP3A4 (0.46) | CYP3A4TRPA1MAPK1TDP1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1301512-A2 | BICYCLIC HYDANTOIN DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2003-04-16 | — | — | EP | disclosed |
| WO-2002008227-A2 | BICYCLIC HYDANTOIN DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2002-01-31 | — | — | WO | disclosed |