Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 9/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 9/20 | 0.46 |
| ▸ | CDK1 | P06493 | 8/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 8/20 | 0.46 |
| ▸ | CDK2 | P24941 | 7/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.38 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.38 |
| ▸ | FGFR3 | P22607 | 3/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16229464 | 0.90 | AURKA (0.48) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8302951 | 0.89 | AURKA (0.47) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8305221 | 0.88 | AURKA (0.47) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL16478930 | 0.85 | CDK2 (0.62) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8302955 | 0.83 | AURKA (0.47) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8302954 | 0.83 | AURKA (0.47) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8305747 | 0.83 | NPC1 (0.51) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL16229465 | 0.83 | AURKA (0.48) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8300911 | 0.82 | AURKA (0.49) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL1646037 | 0.82 | AURKA (0.49) | AURKAAURKBCDK1CCNB1CDK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8399442-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2013-03-19 | — | — | US | disclosed |
| US-8399442-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2013-03-19 | — | — | US | disclosed |