Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 6/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.49 |
| ▸ | CDK1 | P06493 | 4/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.49 |
| ▸ | CDK2 | P24941 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12252935 | 0.95 | AURKA (0.49) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL16478930 | 0.88 | CDK2 (0.62) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8302952 | 0.87 | AURKA (0.55) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL12771446 | 0.85 | AURKA (0.51) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL13545085 | 0.85 | AURKA (0.53) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL13446027 | 0.84 | AURKA (0.48) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8302938 | 0.83 | AURKA (0.63) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL12304231 | 0.83 | AURKA (0.53) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL10240122 | 0.83 | PDPK1 (0.48) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL1644337 | 0.83 | AURKA (0.48) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005002552-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-01-13 | — | — | WO | disclosed |