Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2778375 | 0.85 | XDH (0.52) | RAB9ANPC1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7397793 | 0.82 | ALDH1A1 (0.44) | KMT2APOLBPTPN1ALDH1A1 | |
| SCHEMBL7398696 | 0.82 | DYRK1B (0.47) | NPC1MAPTPTPN1ALDH1A1GAA | |
| SCHEMBL7368321 | 0.81 | NPC1 (0.50) | RAB9ANPC1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7365549 | 0.81 | TSHR (0.45) | KDM4EPTPN1CA12CA1CA2 | |
| SCHEMBL7403582 | 0.81 | RAB9A (0.47) | RAB9ANPC1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7396486 | 0.80 | ROCK2 (0.58) | RAB9ANPC1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7366309 | 0.79 | NPC1 (0.48) | RAB9ANPC1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7399852 | 0.79 | KIT (0.46) | — | |
| SCHEMBL7403608 | 0.78 | PDE3B (0.48) | RAB9ANPC1SMN1; SMN2KDM4EALDH1A1 |
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 |