Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | BRD4 | O60885 | 14/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6954195 | 1.00 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19BRD4NR1H3 | |
| SCHEMBL6961657 | 0.89 | CYP2C9 (0.53) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL6961652 | 0.89 | CYP2C9 (0.53) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL6961648 | 0.89 | CYP2C9 (0.53) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL6959419 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL6959423 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL6960897 | 0.85 | BRD4 (0.47) | CYP3A4CYP2C9CYP2C19BRD4 | |
| SCHEMBL6960901 | 0.85 | BRD4 (0.47) | CYP3A4CYP2C9CYP2C19BRD4 | |
| SCHEMBL6960699 | 0.85 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL6964677 | 0.83 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 |
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 |