Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.49 |
| ▸ | TYMS | P04818 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 6/20 | 0.38 |
| ▸ | TNKS | O95271 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | PARP3 | Q9Y6F1 | 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 | |
|---|---|---|---|---|
| SCHEMBL19992148 | 0.82 | TNKS (0.35) | PARP1KDM4ETNKS2TNKSPARP2 | |
| SCHEMBL19992165 | 0.81 | PARP1 (0.57) | PARP1TYMSKDM4ECYP1A2CYP2D6 | |
| SCHEMBL20404208 | 0.76 | PARP1 (0.64) | PARP1TYMSKDM4ECYP1A2CYP2D6 | |
| SCHEMBL16310700 | 0.72 | PIK3CD (0.38) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25112470 | 0.69 | PARP1 (0.54) | PARP1TYMSKDM4ECYP1A2CYP2D6 | |
| SCHEMBL526063 | 0.69 | PARP1 (0.54) | PARP1TYMSKDM4ECYP1A2CYP2D6 | |
| SCHEMBL16578756 | 0.68 | FASN (0.36) | PARP1KDM4EALDH1A1PARP2PARP3 | |
| SCHEMBL4369801 | 0.67 | TYMS (0.72) | PARP1TYMSKDM4ETNKS2TNKS | |
| SCHEMBL9514561 | 0.66 | PARP1 (1.00) | PARP1TYMSKDM4ECYP1A2CYP2D6 | |
| SCHEMBL16309057 | 0.66 | PIK3CD (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3008053-B1 | PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | GILEAD CALISTOGA LLC (US) | 2018-03-21 | — | — | EP | disclosed |