Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.40 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | MYC | P01106 | 2/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | MAP2 | P11137 | 1/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3097233 | 0.84 | IKBKB (0.46) | CSF1R | |
| SCHEMBL2636302 | 0.80 | BCAT2 (0.53) | PARP1 | |
| SCHEMBL3462201 | 0.80 | GRM2 (0.41) | IRAK4GRM2MAP4K4 | |
| SCHEMBL3081965 | 0.80 | MKNK1 (0.40) | GRM2PARP1 | |
| SCHEMBL3659396 | 0.78 | CYP11B2 (0.49) | CYP11B1CYP11B2 | |
| SCHEMBL3660537 | 0.78 | CNR2 (0.43) | CYP11B2 | |
| SCHEMBL3653879 | 0.77 | CDC7 (0.40) | GRM2 | |
| SCHEMBL981626 | 0.76 | FGFR1 (0.49) | GRM2PARP2PARP10PARP1MAP4K4 | |
| SCHEMBL978717 | 0.75 | PARP10 (0.50) | PARP10 | |
| SCHEMBL3468427 | 0.75 | GRM2 (0.48) | IRAK4GRM2PARP2PARP15PARP10 |
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 |