Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.34 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.33 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.32 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL6964529 | 0.90 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6955583 | 0.85 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5744358 | 0.85 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6955343 | 0.83 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6955968 | 0.83 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4680335 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5744780 | 0.82 | CYP2C9 (0.64) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6959792 | 0.81 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6954771 | 0.79 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6965483 | 0.79 | CYP3A4 (0.46) | 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 |