Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.32 |
| ▸ | PRKACA | P17612 | 2/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.32 |
| ▸ | PKN2 | Q16513 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6964380 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2CISD1 | |
| SCHEMBL6966700 | 0.88 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19CYP1A2CISD1 | |
| SCHEMBL6966708 | 0.88 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19CYP1A2CISD1 | |
| SCHEMBL8686057 | 0.88 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6959423 | 0.85 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2CISD1 | |
| SCHEMBL6959419 | 0.85 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2CISD1 | |
| SCHEMBL6965878 | 0.79 | CYP2C9 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL6965871 | 0.79 | CYP2C9 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL6965874 | 0.79 | CYP2C9 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL6959309 | 0.78 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0767172-B1 | 8-Arylalkyl- and 8-arylheteroalkyl-5, 11-dihydro-6H-dipyrido-[3,2-b:2', 3'-e][1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMA (US) | 2003-03-26 | — | — | EP | disclosed |
| EP-0767172-A1 | 8-Arylalkyl- and 8-arylheteroalkyl-5, 11-dihydro-6H-dipyrido-[3,2-b:2', 3'-e][1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1997-04-09 | — | — | EP | disclosed |