Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ICMT | O60725 | 1/20 | 0.38 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16719394 | 0.84 | IKBKB (0.44) | PARP1BCAT2AKR1C3AKR1C2 | |
| SCHEMBL3165969 | 0.84 | BAZ2B (0.44) | PARP1DHODHBCAT2RAB9ABRD4 | |
| SCHEMBL4916850 | 0.83 | PARP1 (0.49) | PARP1CDC7SLC9A1HSD17B10ALDH1A1 | |
| SCHEMBL4638595 | 0.82 | HPGDS (0.46) | PARP1CDC7SLC9A1BCAT2KMO | |
| SCHEMBL2637648 | 0.81 | BCAT2 (0.61) | PARP1BCAT2HSD17B10L3MBTL1ALDH1A1 | |
| SCHEMBL4654908 | 0.80 | PI4K2A (0.52) | PARP1DHODHHSD17B10ALDH1A1KDM4E | |
| SCHEMBL6667275 | 0.80 | BCAT2 (0.65) | TLR8PARP1DHODHCDC7SLC9A1 | |
| SCHEMBL7113271 | 0.79 | IKBKB (0.56) | MAPTBRD4 | |
| SCHEMBL29723862 | 0.78 | PARP1 (0.52) | TLR8PARP1DHODHCDC7SLC9A1 | |
| SCHEMBL2784443 | 0.78 | SLC9A1 (0.38) | PARP1SLC9A1HSD17B10ALDH1A1KDM4E |
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-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | claimed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | claimed |
| EP-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | disclosed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |