Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13824872 | 0.75 | ALOX5 (0.41) | ALOX5CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL13824871 | 0.70 | KDM4E (0.47) | — | |
| SCHEMBL22432740 | 0.70 | ALOX5 (0.46) | ALOX5CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL26266716 | 0.67 | ALOX5 (0.40) | ALOX5 | |
| SCHEMBL6048499 | 0.64 | CYP1A2 (0.40) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL26267525 | 0.63 | ALOX5 (0.33) | ALOX5 | |
| Hydrochloric Acid SCHEMBL6048580 | 0.63 | CYP1A2 (0.40) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL23652349 | 0.61 | MAOB (0.43) | — | |
| SCHEMBL8292740 | 0.60 | MAOA (0.46) | CYP1A2 | |
| SCHEMBL4420514 | 0.60 | ALDH1A1 (0.45) | CYP1A1CYP1A2CYP1B1 |
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-2012150305-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO- DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2012-11-08 | — | — | WO | disclosed |