Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | PRMT5 | O14744 | 4/20 | 0.43 |
| ▸ | WDR77 | Q9BQA1 | 4/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 9/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30089105 | 1.00 | KDR (0.47) | KDRPRMT5WDR77GRM4CES1 | |
| SCHEMBL9959338 | 0.88 | KCNK3 (0.46) | ALDH1A1 | |
| SCHEMBL10153721 | 0.86 | KDR (0.47) | KDRPRMT5WDR77GRM4CES1 | |
| SCHEMBL9958904 | 0.86 | PRMT5 (0.43) | PRMT5WDR77KCNH2 | |
| SCHEMBL9958833 | 0.84 | ALDH1A1 (0.42) | PRMT5WDR77ALDH1A1 | |
| SCHEMBL9952468 | 0.83 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL9959336 | 0.83 | RAB9A (0.42) | PRMT5WDR77ALDH1A1 | |
| SCHEMBL29411937 | 0.81 | CNR1 (0.45) | PRMT5WDR77ALDH1A1 | |
| SCHEMBL9958767 | 0.81 | CNR1 (0.45) | PRMT5WDR77ALDH1A1 | |
| SCHEMBL30675135 | 0.81 | PRMT5 (0.47) | PRMT5WDR77ALDH1A1 |
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 2 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 |