Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 10/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.42 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 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 | |
|---|---|---|---|---|
| SCHEMBL7367992 | 0.88 | ROCK2 (0.45) | ROCK2KDRFGFR3CASRADRA2A | |
| SCHEMBL7360092 | 0.87 | ROCK2 (0.44) | ROCK2KDRFGFR3CASRADRA2A | |
| SCHEMBL7399852 | 0.86 | KIT (0.46) | ROCK2KDRFGFR3KIT | |
| SCHEMBL2778375 | 0.85 | XDH (0.52) | XDHKDM4EMEN1PRNPPOLB | |
| SCHEMBL7397793 | 0.82 | ALDH1A1 (0.44) | ROCK2KDRFGFR3XDHPTPN1 | |
| SCHEMBL7403582 | 0.81 | RAB9A (0.47) | ROCK2KDRKDM4EMEN1POLB | |
| SCHEMBL7396486 | 0.80 | ROCK2 (0.58) | CNR1ROCK2KDRFGFR3PTPN1 | |
| SCHEMBL7366309 | 0.79 | NPC1 (0.48) | ROCK2KDRFGFR3XDHPTPN1 | |
| SCHEMBL7368321 | 0.79 | NPC1 (0.50) | PTPN1KDM4EMEN1GAAKMT2A | |
| SCHEMBL7398696 | 0.77 | DYRK1B (0.47) | KDRXDHPTPN1GAA |
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 |