Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB8 | P28062 | 1/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.41 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7403608 | 0.82 | PDE3B (0.48) | MAPKAPK2 | |
| SCHEMBL2778375 | 0.81 | XDH (0.52) | BRD4 | |
| SCHEMBL7366309 | 0.81 | NPC1 (0.48) | MAPKAPK2 | |
| SCHEMBL19502096 | 0.80 | CYP17A1 (0.53) | PSMB8CYP17A1MAP4K4NAMPTPRKDC | |
| SCHEMBL7397793 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL7398696 | 0.79 | DYRK1B (0.47) | — | |
| SCHEMBL7365549 | 0.78 | TSHR (0.45) | — | |
| SCHEMBL7403582 | 0.78 | RAB9A (0.47) | NAMPT | |
| SCHEMBL7368321 | 0.78 | NPC1 (0.50) | — | |
| SCHEMBL7399753 | 0.78 | RAB9A (0.46) | — |
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 |