Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | BRD4 | O60885 | 7/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | SNCA | P37840 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6961657 | 1.00 | CYP2C9 (0.53) | CYP2C9CYP2C19CYP3A4BRD4GRM5 | |
| SCHEMBL6961648 | 1.00 | CYP2C9 (0.53) | CYP2C9CYP2C19CYP3A4BRD4GRM5 | |
| SCHEMBL6959423 | 0.92 | CYP3A4 (0.50) | CYP2C9CYP2C19CYP3A4BRD4MAPT | |
| SCHEMBL6959419 | 0.92 | CYP3A4 (0.50) | CYP2C9CYP2C19CYP3A4BRD4MAPT | |
| SCHEMBL6954196 | 0.89 | CYP3A4 (0.50) | CYP2C9CYP2C19CYP3A4BRD4CYP1A2 | |
| SCHEMBL6954195 | 0.89 | CYP3A4 (0.50) | CYP2C9CYP2C19CYP3A4BRD4CYP1A2 | |
| SCHEMBL6960699 | 0.88 | CYP3A4 (0.52) | CYP2C9CYP2C19CYP3A4BRD4CYP1A2 | |
| SCHEMBL6960897 | 0.85 | BRD4 (0.47) | CYP2C9CYP2C19CYP3A4BRD4MAPT | |
| SCHEMBL6960901 | 0.85 | BRD4 (0.47) | CYP2C9CYP2C19CYP3A4BRD4MAPT | |
| SCHEMBL6965878 | 0.84 | CYP2C9 (0.42) | CYP2C9CYP2C19CYP3A4GRM5MAPT |
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 |