Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | FGFR3 | P22607 | 4/20 | 0.46 |
| ▸ | KDR | P35968 | 4/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | PIKFYVE | Q9Y2I7 | 2/20 | 0.42 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | NMT1 | P30419 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL6208653 | 0.80 | TDP1 (0.52) | TDP1FGFR3KDRFNTAFNTB | |
| SCHEMBL11925838 | 0.80 | FGFR3 (0.70) | FGFR3KDR | |
| SCHEMBL12203286 | 0.79 | TDP1 (0.47) | TDP1FGFR3KDRPIKFYVEMAP3K14 | |
| SCHEMBL4630468 | 0.79 | FGFR3 (0.49) | TDP1FGFR3KDRPIKFYVEMAP3K14 | |
| SCHEMBL4968126 | 0.74 | CYP3A4 (0.58) | TDP1HCRTR1PIK3CAMTORPDK1 | |
| SCHEMBL31536350 | 0.72 | HAO1 (0.46) | FGFR3KDRHCRTR1PIK3CAMTOR | |
| SCHEMBL4878579 | 0.72 | GRM5 (0.62) | PIK3CAMTORPDK1ABL1RET | |
| SCHEMBL24956348 | 0.72 | TDP1 (0.48) | TDP1FGFR3KDRPIKFYVEMAP3K14 | |
| SCHEMBL2806708 | 0.70 | MEN1 (0.55) | PIK3CAMTORPDK1GRM5 | |
| SCHEMBL9611202 | 0.70 | FFAR1 (0.59) | TDP1HCRTR1PIK3CAMTORPDK1 |
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 |