Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30349373 | 0.95 | TACR1 (0.41) | IDO1TACR1ALDH1A1MAPK1TRPA1 | |
| SCHEMBL305652 | 0.95 | TACR1 (0.41) | IDO1TACR1ALDH1A1MAPK1TRPA1 | |
| SCHEMBL400236 | 0.87 | IDO1 (0.46) | IDO1ALDH1A1TRPA1TSHR | |
| SCHEMBL642402 | 0.81 | IDO1 (0.40) | IDO1ALDH1A1TRPA1TSHR | |
| SCHEMBL156099 | 0.81 | — | — | |
| SCHEMBL6726921 | 0.80 | TACR1 (0.36) | TACR1ALDH1A1MAPK1TSHR | |
| SCHEMBL2261460 | 0.78 | PGK1 (0.42) | IDO1ALDH1A1TRPA1TSHR | |
| SCHEMBL502038 | 0.78 | ALDH1A1 (0.40) | TACR1ALDH1A1TRPA1TSHR | |
| SCHEMBL1363875 | 0.78 | TACR1 (0.44) | IDO1TACR1ALDH1A1MAPK1TSHR | |
| Fluoride SCHEMBL28049696 | 0.78 | ALDH1A1 (0.48) | IDO1TACR1ALDH1A1MAPK1TSHR |
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-0517876-A1 | THERAPEUTIC BENZAZEPINE COMPOUNDS. | ICI PLC (GB) | 1992-12-16 | — | — | EP | disclosed |