Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | PYGL | P06737 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10154006 | 0.88 | NPC1 (0.39) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL10153733 | 0.87 | NPC1 (0.49) | NPC1RAB9APLA2G2AALDH1A1 | |
| SCHEMBL10153651 | 0.87 | PLA2G2A (0.42) | NPC1RAB9APLA2G2ANOS2PSMB5 | |
| SCHEMBL10153986 | 0.83 | RAB9A (0.49) | NPC1RAB9AALDH1A1GAA | |
| SCHEMBL10153984 | 0.83 | SMN1; SMN2 (0.47) | NPC1RAB9AKDM4EGAA | |
| SCHEMBL10153654 | 0.81 | NPC1 (0.47) | NPC1RAB9AALDH1A1GAASLC7A5 | |
| SCHEMBL10153987 | 0.81 | NPC1 (0.44) | NPC1RAB9AKDM4E | |
| SCHEMBL10153655 | 0.79 | ABL1 (0.53) | NPC1RAB9AABL1SLC6A4SLC6A3 | |
| SCHEMBL9789583 | 0.71 | PTGER1 (0.61) | CNR1 | |
| SCHEMBL1095126 | 0.71 | CASP3 (0.58) | NPC1RAB9ACNR1PLA2G2ACASP3 |
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 |