Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 2/20 | 0.42 |
| ▸ | TYMS | P04818 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1387263 | 0.78 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30160008 | 0.78 | PARP1 (0.42) | PARP1KDM4ETNKS2CA1CA2 | |
| SCHEMBL21072543 | 0.78 | PARP1 (0.42) | PARP1KDM4ETNKS2CA1CA2 | |
| SCHEMBL6427935 | 0.77 | PARP1 (0.53) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL19992155 | 0.76 | PARP1 (0.49) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6931033 | 0.76 | PARP1 (0.70) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL526074 | 0.76 | PARP1 (0.70) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30900892 | 0.76 | PARP1 (0.70) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15840543 | 0.76 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL215530 | 0.76 | PARP1 (1.00) | 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 1 patent. 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 |