Predicted protein targets (top 14)
| 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 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8683830 | 0.77 | MEN1 (0.34) | KDM4CNPC1RAB9A | |
| SCHEMBL2876489 | 0.76 | — | — | |
| Indole SCHEMBL28974213 | 0.71 | TRPA1 (0.49) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL29184865 | 0.69 | AHR (0.71) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL9017460 | 0.69 | AHR (0.71) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28844097 | 0.69 | AHR (0.94) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL2889289 | 0.68 | AHR (0.68) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL1173439 | 0.67 | AHR (0.90) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28874658 | 0.67 | AHR (0.90) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28594059 | 0.67 | AHR (0.90) | TRPA1CA1CA2ITGB2ICAM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999011619-A1 | PHENYLINDOLE DERIVATIVES AS 5-HT2A RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1999-03-11 | — | — | WO | disclosed |