Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | TDO2 | P48775 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | RORB | Q92753 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 2/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PRKCG | P05129 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4707011 | 0.87 | IDO1 (0.44) | TACR1ALDH1A1GAAPTGER4IDO1 | |
| SCHEMBL4757295 | 0.86 | RORB (0.51) | TACR1ALDH1A1GAAPTGER4IDO1 | |
| SCHEMBL4708172 | 0.80 | RORB (0.46) | TACR1RORCRORBCDC7MAPK1 | |
| SCHEMBL4707863 | 0.75 | IDH1 (0.44) | TACR1RORCRORBGPBAR1 | |
| SCHEMBL4638919 | 0.75 | TACR1 (0.48) | TACR1ALDH1A1GAATSHRRORC | |
| SCHEMBL4707172 | 0.75 | RORB (0.46) | ALDH1A1GAAPTGER4TSHRRORC | |
| SCHEMBL4706420 | 0.75 | IDO1 (0.44) | TACR1PTGER4IDO1TDO2CDC7 | |
| SCHEMBL4708046 | 0.75 | RORB (0.42) | TACR1RORCRORBGPBAR1 | |
| SCHEMBL4707969 | 0.75 | CDC7 (0.42) | TACR1ALDH1A1GAARORCRORB | |
| SCHEMBL4707650 | 0.74 | RORB (0.41) | ALDH1A1GAAPTGER4TSHRRORC |
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-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |