Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 9/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17522163 | 0.80 | PTGS2 (0.41) | ALOX5PDE3BPDE3AHMGCRPTGS2 | |
| SCHEMBL17522164 | 0.76 | HMGCR (0.47) | ALOX5PDE3BPDE3AHMGCRPTGS2 | |
| SCHEMBL21280424 | 0.72 | HMGCR (0.53) | ALOX5PDE3BPDE3AHMGCRPTGS2 | |
| SCHEMBL5141831 | 0.72 | ACHE (0.48) | ALOX5PTGS2SMPD3NPC1HPGD | |
| SCHEMBL18781430 | 0.72 | KDM4E (0.36) | PDE3BPDE3AHMGCRPTGS2NPC1 | |
| SCHEMBL27947309 | 0.71 | NPC1 (0.48) | ALOX5PTGS2NPC1HPGDMAPK1 | |
| SCHEMBL19363655 | 0.70 | CNR2 (0.35) | PDE3BPDE3AHMGCRPTGS2HTR2A | |
| SCHEMBL28042367 | 0.69 | ALOX5 (0.41) | ALOX5PDE3BPDE3AHMGCRPTGS2 | |
| SCHEMBL10752271 | 0.68 | ALOX5 (0.44) | ALOX5PTGS2NPC1HPGDMAPK1 | |
| SCHEMBL22035471 | 0.68 | PTGS2 (0.41) | PDE3BPDE3AHMGCRPTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3353164-B1 | BI-HETEROARYL SUBSTITUTED 1,4-BENZODIAZEPINES AND USES THEREOF FOR THE TREATMENT OF CANCER | JANSSEN PHARMACEUTICA NV (BE) | 2021-11-03 | — | — | EP | disclosed |