Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL7980379 | 0.91 | CYP1A2 (0.35) | CYP1A2 | |
| SCHEMBL7980381 | 0.91 | CYP1A2 (0.35) | CYP1A2 | |
| SCHEMBL4333129 | 0.89 | ALDH1A1 (0.35) | ALDH1A1ALOX15 | |
| SCHEMBL4337070 | 0.85 | SIGMAR1 (0.36) | CYP1A2 | |
| SCHEMBL7992333 | 0.84 | ALDH1A1 (0.32) | ALDH1A1ALOX15 | |
| SCHEMBL9750 | 0.81 | — | — | |
| SCHEMBL7998012 | 0.76 | — | — | |
| SCHEMBL7998008 | 0.76 | — | — | |
| SCHEMBL5341099 | 0.76 | SIGMAR1 (0.35) | — | |
| SCHEMBL4560457 | 0.76 | SIGMAR1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009145357-A1 | IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |
| US-6277790-B1 | APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-21 | — | — | US | disclosed |