Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10153733 | 0.88 | NPC1 (0.49) | NPC1RAB9AALDH1A1LTA4HALOX15 | |
| SCHEMBL10153993 | 0.88 | NPC1 (0.50) | NPC1RAB9AALDH1A1KDM4EGAA | |
| SCHEMBL10153651 | 0.88 | PLA2G2A (0.42) | NPC1RAB9AALDH1A1KDM4EGAA | |
| SCHEMBL10153986 | 0.84 | RAB9A (0.49) | NPC1RAB9AALDH1A1GAALMNA | |
| SCHEMBL10153984 | 0.83 | SMN1; SMN2 (0.47) | NPC1RAB9AKDM4EGAALMNA | |
| SCHEMBL10153654 | 0.82 | NPC1 (0.47) | NPC1RAB9AALDH1A1GAASLC7A5 | |
| SCHEMBL10153987 | 0.80 | NPC1 (0.44) | NPC1RAB9AKDM4E | |
| SCHEMBL10797269 | 0.68 | LTA4H (0.51) | NPC1RAB9AALDH1A1THRBCYP2C9 | |
| SCHEMBL21045042 | 0.68 | RAB9A (0.39) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL10790971 | 0.67 | LTA4H (0.53) | NPC1RAB9AALDH1A1THRBCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |