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 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL6954120 | 0.92 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CYP1A2NR4A2 | |
| SCHEMBL6955856 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL6957500 | 0.87 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL6951069 | 0.87 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2CYP11B1 | |
| SCHEMBL6967095 | 0.84 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2MAOB | |
| SCHEMBL6964778 | 0.84 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19CYP1A2CYP11B1 | |
| SCHEMBL6951056 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2KCNH2 | |
| SCHEMBL6964026 | 0.82 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19CYP1A2CYP11B1 | |
| SCHEMBL6966275 | 0.80 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2HDAC1 | |
| SCHEMBL6965315 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2CYP11B1 |
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 |