Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 11/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | PARK7 | Q99497 | 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 | |
|---|---|---|---|---|
| SCHEMBL6964377 | 0.96 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL6966336 | 0.89 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL6960515 | 0.88 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL6956246 | 0.87 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL6965703 | 0.87 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL4676762 | 0.87 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL6964677 | 0.86 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL6961628 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL6963707 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL6964963 | 0.85 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 |
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 |