Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 15/20 | 0.47 |
| ▸ | ERCC4 | Q92889 | 15/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | STK17B | O94768 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10154011 | 0.89 | MAPT (0.45) | ERCC1ERCC4NR1H3TRPV1 | |
| SCHEMBL9953442 | 0.86 | KCNA5 (0.53) | KCNA5 | |
| SCHEMBL9953409 | 0.84 | POLB (0.50) | KCNA5 | |
| SCHEMBL10154090 | 0.84 | KCNA5 (0.47) | KCNA5 | |
| SCHEMBL9958635 | 0.84 | ALDH1A1 (0.50) | — | |
| SCHEMBL9952866 | 0.81 | P2RX7 (0.44) | KCNA5 | |
| SCHEMBL10153615 | 0.81 | SCN9A (0.54) | KCNA5 | |
| SCHEMBL10153587 | 0.76 | MAPT (0.59) | — | |
| SCHEMBL10153604 | 0.76 | KCNA5 (0.47) | KCNA5 | |
| SCHEMBL10153729 | 0.75 | MAPT (0.46) | KCNA5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | claimed |
| WO-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |