Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | KDM1A | O60341 | 3/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.47 |
| ▸ | MGLL | Q99685 | 3/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3784570 | 0.76 | ROCK2 (0.66) | ROCK2POLBMAPTTP53KDM1A | |
| SCHEMBL10429371 | 0.74 | KDM4E (0.39) | MAPTALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15777029 | 0.74 | TP53 (0.67) | ROCK2POLBMAPTTP53KDM1A | |
| SCHEMBL1707562 | 0.74 | POLB (0.68) | ROCK2POLBMAPTTP53KDM1A | |
| SCHEMBL9128045 | 0.73 | ROCK2 (0.69) | ROCK2POLBMAPTTP53KDM1A | |
| SCHEMBL3786345 | 0.73 | KDM1A (0.60) | ROCK2POLBMAPTTP53KDM1A | |
| Benzyl Phenylcarbamate SCHEMBL1222943 | 0.72 | POLB (0.78) | ROCK2POLBMAPTTP53KDM1A | |
| SCHEMBL10259763 | 0.72 | POLB (0.83) | ROCK2POLBMAPTTP53KDM1A | |
| SCHEMBL10429347 | 0.72 | ROCK2 (0.50) | ROCK2POLBMAPTTP53KDM1A | |
| SCHEMBL7663567 | 0.71 | POLB (0.68) | ROCK2POLBMAPTTP53KDM1A |
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 |
|---|---|---|---|---|---|---|---|
| US-4920119-A | XANTHINE OXIDASE INHIBITORS; CONTROL OR PREVENTION OF GOUT OR ISCHEMIA | HOFFMANN-LA ROCHE INC. (US) | 1990-04-24 | — | — | US | disclosed |
| EP-0274654-A2 | 1,2,3-Triazin-4(3H)-one derivatives, process for their preparation and medicaments containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1988-07-20 | — | — | EP | disclosed |