Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | TNKS2 | Q9H2K2 | 6/20 | 0.54 |
| ▸ | TNKS | O95271 | 5/20 | 0.53 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | TYMS | P04818 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1387263 | 0.82 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29829762 | 0.80 | PARP1 (0.66) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3507122 | 0.80 | PARP1 (0.66) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6931033 | 0.79 | PARP1 (0.70) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL577862 | 0.79 | PARP1 (0.51) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30900892 | 0.79 | PARP1 (0.70) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL215530 | 0.79 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29529679 | 0.79 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15840543 | 0.79 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL20404387 | 0.79 | PARP1 (0.64) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2935246-B1 | ISOQUINOLINONE OR QUINAZOLINONE PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | GILEAD CALISTOGA LLC (US) | 2018-07-25 | — | — | EP | disclosed |
| EP-3008053-B1 | PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | GILEAD CALISTOGA LLC (US) | 2018-03-21 | — | — | EP | disclosed |
| WO-2013050527-A1 | QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS | H. LUNDBECK A/S (DK) | 2013-04-11 | — | — | WO | disclosed |
| WO-2013050527-A1 | QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS | H. LUNDBECK A/S (DK) | 2013-04-11 | — | — | WO | disclosed |
| WO-2012014109-A1 | HETEROCYCLIC SULFONAMIDES AS INHIBITORS OF TRANSFER RNA SYNTHETASE FOR USE AS ANTIBACTERIAL AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2012-02-02 | — | — | WO | disclosed |