Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | GSK3A | P49840 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.30 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.30 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.30 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.30 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6965843 | 0.90 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6965816 | 0.90 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6958487 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6960239 | 0.89 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6964812 | 0.87 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6953361 | 0.87 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6956081 | 0.87 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6959500 | 0.86 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6956935 | 0.86 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6965866 | 0.86 | CYP3A4 (0.43) | 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 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 |