Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | TDO2 | P48775 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24204595 | 0.91 | NPC1 (0.50) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL30365932 | 0.91 | NPC1 (0.50) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL27253072 | 0.90 | NPC1 (0.51) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL31010848 | 0.86 | NPC1 (0.46) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL31010855 | 0.85 | NPC1 (0.47) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL25522191 | 0.80 | NPC1 (0.50) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL27033433 | 0.78 | NPC1 (0.41) | NPC1RAB9AIDO1TDO2MIF | |
| SCHEMBL26874136 | 0.78 | NPC1 (0.44) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL27033328 | 0.78 | NPC1 (0.41) | NPC1RAB9AIDO1TDO2MIF | |
| SCHEMBL31010850 | 0.77 | NPC1 (0.51) | NPC1RAB9AIDO1TDO2CYP1A2 |
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-2024050434-A1 | ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR MEDIATED DISEASES | Dermavant Sciences GmbH (CH) | 2024-03-07 | — | — | WO | disclosed |