Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10941422 | 0.92 | MAPK1 (0.39) | CYP3A4TRPA1MAPK1TDP1 | |
| SCHEMBL10942922 | 0.86 | TRPA1 (0.45) | CYP3A4TRPA1MAPK1TDP1 | |
| SCHEMBL11761677 | 0.76 | CYP3A4 (0.38) | CYP3A4 | |
| SCHEMBL11854273 | 0.76 | TSHR (0.44) | MAPK1 | |
| SCHEMBL10942927 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL10939422 | 0.69 | — | — | |
| Chloromethane SCHEMBL27805565 | 0.68 | CYP3A4 (0.48) | CYP3A4TRPA1MAPK1TDP1 | |
| SCHEMBL6266620 | 0.67 | CYP3A4 (0.38) | CYP3A4TRPA1MAPK1TDP1 | |
| Benzene SCHEMBL28982643 | 0.66 | CYP3A4 (0.45) | CYP3A4TRPA1MAPK1TDP1 | |
| SCHEMBL10881672 | 0.66 | TSHR (0.41) | — |
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-0092454-B1 | HALOGENATED AROMATIC ISOCYANATES OR THEIR MIXTURES HAVING A DIPHENYL-METHANE STRUCTURE | ELF ATOCHEM S.A. (FR) | 1985-11-27 | — | — | EP | claimed |