Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | CDK4 | P11802 | 2/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.38 |
| ▸ | HPGDS | O60760 | 6/20 | 0.37 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15473156 | 0.91 | CDK1 (0.40) | CDK1CDK4CDK6SYKTBK1 | |
| SCHEMBL15473069 | 0.86 | TBK1 (0.40) | CDK1CDK4CDK6SYKTBK1 | |
| SCHEMBL16665019 | 0.83 | TDO2 (0.44) | SYKTBK1HPGDSIKBKE | |
| SCHEMBL15473175 | 0.83 | HPGDS (0.43) | CDK1CDK4CDK6TBK1HPGDS | |
| SCHEMBL15473152 | 0.80 | FLT3 (0.42) | CDK1CDK4CDK6TBK1HPGDS | |
| SCHEMBL16664999 | 0.78 | HPGDS (0.36) | CDK1CDK4CDK6TBK1HPGDS | |
| SCHEMBL19819913 | 0.76 | HPGDS (0.44) | SYKTBK1HPGDSIKBKEPIK3CA | |
| SCHEMBL19819900 | 0.76 | HPGDS (0.44) | CDK1CDK4CDK6TBK1HPGDS | |
| SCHEMBL19905349 | 0.76 | HPGDS (0.33) | CDK1CDK4CDK6SYKTBK1 | |
| SCHEMBL17874699 | 0.75 | PRKDC (0.43) | CDK1CDK4CDK6SYKTBK1 |
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-2015058031-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-23 | — | — | WO | disclosed |