Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 9/20 | 0.45 |
| ▸ | KDR | P35968 | 3/20 | 0.43 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7360092 | 0.89 | ROCK2 (0.44) | ROCK2KDRFGFR3CASRADRA2A | |
| SCHEMBL7392189 | 0.88 | CNR1 (0.51) | ROCK2KDRFGFR3KDM4ECASR | |
| SCHEMBL7399852 | 0.86 | KIT (0.46) | ROCK2KDRFGFR3KIT | |
| SCHEMBL7397793 | 0.82 | ALDH1A1 (0.44) | ROCK2KDRFGFR3ALDH1A1 | |
| SCHEMBL7396486 | 0.82 | ROCK2 (0.58) | ROCK2KDRFGFR3ALDH1A1RAB9A | |
| SCHEMBL7403582 | 0.81 | RAB9A (0.47) | ROCK2KDRKDM4EL3MBTL1KIT | |
| SCHEMBL2778375 | 0.79 | XDH (0.52) | KDM4EALDH1A1L3MBTL1GAARAB9A | |
| SCHEMBL7398696 | 0.79 | DYRK1B (0.47) | KDRALDH1A1GAA | |
| SCHEMBL7366309 | 0.79 | NPC1 (0.48) | ROCK2KDRFGFR3KDM4EALDH1A1 | |
| SCHEMBL7368321 | 0.78 | NPC1 (0.50) | KDM4EALDH1A1GAARAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0096517-A2 | Aryl pyrazinones | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-12-21 | — | — | EP | claimed |
| US-4657906-A | CARDIOVASCULAR DISORDERS | SMITH KLINE & FRENCH LABORATORIES LTD. (GB) | 1987-04-14 | — | — | US | disclosed |
| US-4556711-A | CARDIOTONIC AGENTS | SMITH KLINE & FRENCH LABORATORIES LTD. (US) | 1985-12-03 | — | — | US | disclosed |
| EP-0096517-A2 | Aryl pyrazinones | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-12-21 | — | — | EP | disclosed |