Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FGFR3 | P22607 | 5/20 | 0.49 |
| ▸ | KDR | P35968 | 4/20 | 0.49 |
| ▸ | GRM5 | P41594 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 4/20 | 0.40 |
| ▸ | NMT1 | P30419 | 1/20 | 0.37 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.37 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 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 | |
|---|---|---|---|---|
| SCHEMBL4630469 | 0.79 | TDP1 (0.49) | FGFR3KDRGRM5TDP1PSMD14 | |
| SCHEMBL6208653 | 0.75 | TDP1 (0.52) | FGFR3KDRGRM5TDP1PSMD14 | |
| SCHEMBL29506350 | 0.75 | F7 (0.59) | GRM5CYP3A4CYP2D6 | |
| SCHEMBL12203286 | 0.74 | TDP1 (0.47) | FGFR3KDRGRM5TDP1PSMD14 | |
| SCHEMBL4417743 | 0.73 | HPGD (0.59) | — | |
| SCHEMBL16719361 | 0.72 | GRM5 (0.55) | GRM5TDP1CYP3A4PARP1 | |
| SCHEMBL18946169 | 0.72 | GRM5 (0.55) | GRM5TDP1CYP3A4MAP3K14PARP1 | |
| SCHEMBL12478968 | 0.71 | GRM5 (0.55) | GRM5TDP1CYP3A4MAP3K14PARP1 | |
| SCHEMBL29760240 | 0.70 | GRM5 (0.56) | GRM5PARP1PARP10 | |
| SCHEMBL4711689 | 0.69 | GRM5 (0.66) | GRM5CYP3A4CYP2D6 |
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 |