Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.39 |
| ▸ | TNKS | O95271 | 9/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 9/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17091592 | 0.79 | KDM4E (0.39) | PARP1TNKSTNKS2KDM4EKMT2A | |
| SCHEMBL17091609 | 0.76 | PDE4D (0.40) | PARP1TNKSTNKS2KDM4EKMT2A | |
| SCHEMBL30590014 | 0.74 | NPC1 (0.53) | PARP1KDM4EKMT2AMETAP2PLAU | |
| SCHEMBL29729655 | 0.73 | PARP1 (0.58) | PARP1KDM4EKMT2AMETAP2PLAU | |
| SCHEMBL564494 | 0.73 | PARP1 (0.58) | PARP1KDM4EKMT2AMETAP2PLAU | |
| SCHEMBL17091597 | 0.73 | METAP2 (0.41) | PARP1TNKSTNKS2KDM4EKMT2A | |
| SCHEMBL17091593 | 0.73 | NOTUM (0.48) | PARP1KDM4EKMT2AMETAP2PLAU | |
| SCHEMBL10049513 | 0.72 | PLAU (0.58) | PARP1TNKSTNKS2KDM4EKMT2A | |
| SCHEMBL6662996 | 0.72 | METAP2 (0.49) | PARP1TNKSTNKS2KDM4EKMT2A | |
| SCHEMBL30457867 | 0.72 | PARP1 (0.57) | PARP1KDM4EKMT2AMETAP2PLAU |
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-2624695-B1 | NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | NIVALIS THERAPEUTICS INC (US) | 2015-09-23 | — | — | EP | claimed |