Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12825571 | 0.74 | HSP90AA1 (0.33) | NOTUMNR1H2NR1H3TRPA1 | |
| SCHEMBL16498934 | 0.74 | HSP90AA1 (0.33) | NOTUMNR1H2NR1H3TRPA1 | |
| SCHEMBL12825583 | 0.71 | GAA (0.33) | — | |
| SCHEMBL9419037 | 0.69 | NR1H2 (0.37) | ALDH1A1NOTUMNR1H2NR1H3 | |
| SCHEMBL11945783 | 0.69 | ALDH1A1 (0.36) | ALDH1A1NOTUM | |
| SCHEMBL12813386 | 0.66 | SIGMAR1 (0.44) | NR1H2NR1H3 | |
| SCHEMBL9770580 | 0.66 | OPRM1 (0.38) | — | |
| SCHEMBL27053554 | 0.66 | MAPT (0.31) | NOTUM | |
| SCHEMBL25797646 | 0.66 | MAPT (0.31) | NOTUM | |
| SCHEMBL27053553 | 0.66 | MAPT (0.31) | NOTUM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0315071-B1 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | HOFFMANN LA ROCHE (CH) | 1994-07-20 | — | — | EP | disclosed |
| US-4992574-A | Skin disorders, antiallergens, antiinflammatory agent | HOFFMANN-LA ROCHE INC. (US) | 1991-02-12 | — | — | US | disclosed |
| EP-0315071-A2 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |