Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | DCLK1 | O15075 | 2/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.38 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | VDR | P11473 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6965729 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2PDE5A | |
| SCHEMBL6955975 | 0.85 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2DCLK1 | |
| SCHEMBL6951056 | 0.85 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL6951069 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL6967095 | 0.81 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL6957500 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2KMT2A | |
| SCHEMBL6966684 | 0.80 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL6955208 | 0.80 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19CYP1A2NPC1 | |
| SCHEMBL6954120 | 0.79 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CYP1A2NPC1 | |
| SCHEMBL6964310 | 0.79 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19CYP1A2DCLK1 |
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 |