Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.45 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.45 |
| ▸ | ITGAL | P20701 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.45 |
| ▸ | ADK | P55263 | 1/20 | 0.45 |
| ▸ | GHSR | Q92847 | 6/20 | 0.36 |
| ▸ | BPTF | Q12830 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| Indole SCHEMBL10364968 | 0.79 | TRPA1 (0.40) | TRPA1CA1CA2ITGB2ICAM1 | |
| SCHEMBL12663143 | 0.74 | BPTF (0.53) | GHSRBPTFALDH1A1HTR2CKHK | |
| SCHEMBL8342001 | 0.74 | BPTF (0.53) | BPTFSLC6A4HTR2CKCNH2 | |
| SCHEMBL800968 | 0.74 | BPTF (0.53) | GHSRBPTFALDH1A1HTR2CKHK | |
| Indole SCHEMBL27977912 | 0.69 | TRPA1 (0.59) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL30877947 | 0.69 | AHR (0.94) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL2945202 | 0.69 | AHR (0.94) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL27957692 | 0.67 | AHR (0.90) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL6386255 | 0.67 | AHR (0.90) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL698 | 0.67 | — | — |
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-0200322-B1 | HETEROCYCLIC COMPOUNDS | H. LUNDBECK A/S (DK) | 1990-02-28 | — | — | EP | disclosed |
| US-4710500-A | 1-(4'-fluorophenyl)-3,5-substituted indoles useful in the treatment of psychic disorders and pharmaceutical compositions thereof | H. LUNDBECK A/S (DK) | 1987-12-01 | — | — | US | disclosed |
| EP-0200322-A1 | Heterocyclic compounds | H. LUNDBECK A/S (DK) | 1986-11-05 | — | — | EP | disclosed |