Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 2/20 | 0.36 |
| ▸ | GABRD | O14764 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7834310 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL7823204 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL7229792 | 0.79 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL7823270 | 0.78 | CYP2A6 (0.42) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL5814027 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL13592398 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL8746106 | 0.77 | CYP2A6 (0.56) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL5403384 | 0.75 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL7856276 | 0.74 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL7837902 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109813-A1 | PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000012510-A1 | PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2000-03-09 | — | — | WO | disclosed |