Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 3/20 | 0.46 |
| ▸ | KIT | P10721 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7397793 | 0.85 | ALDH1A1 (0.44) | KMT2AKDRALDH1A1FGFR3ROCK2 | |
| SCHEMBL7403582 | 0.84 | RAB9A (0.47) | NPC1RAB9AMEN1KMT2AKDR | |
| SCHEMBL7396486 | 0.83 | ROCK2 (0.58) | NPC1RAB9AMEN1KMT2AKDR | |
| SCHEMBL2778375 | 0.82 | XDH (0.52) | NPC1RAB9AMEN1KMT2AJAK2 | |
| SCHEMBL7399852 | 0.82 | KIT (0.46) | KDRKITFGFR3ROCK2CDK8 | |
| SCHEMBL7396154 | 0.81 | PSMB8 (0.49) | MAPKAPK2 | |
| SCHEMBL7398696 | 0.80 | DYRK1B (0.47) | NPC1KDRALDH1A1GAAPTPN1 | |
| SCHEMBL7392189 | 0.79 | CNR1 (0.51) | MEN1KMT2AKDRKITKDM4E | |
| SCHEMBL7368321 | 0.79 | NPC1 (0.50) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL7365549 | 0.79 | TSHR (0.45) | KDM4EROCK2PTPN1PTPN2AURKB |
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 |