Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL6955618 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6955613 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6966102 | 0.84 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5746722 | 0.81 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5743837 | 0.79 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4035355 | 0.76 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5744385 | 0.71 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4031265 | 0.70 | RAB9A (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5745787 | 0.69 | CYP3A4 (0.37) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8887421 | 0.68 | ALDH1A1 (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 |
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 3 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 |
| US-5705499-A | VIRICIDES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1998-01-06 | — | — | US | 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 |