Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.32 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.32 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | PRKCG | P05129 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.31 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.31 |
| ▸ | STK3 | Q13188 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6963340 | 0.86 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19CYP1A2GRM5 | |
| SCHEMBL6955203 | 0.85 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2GRM5 | |
| SCHEMBL6955583 | 0.85 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2GRM5 | |
| SCHEMBL6963775 | 0.85 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2GRM5 | |
| SCHEMBL6959907 | 0.85 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2GRM5 | |
| SCHEMBL6958487 | 0.85 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2GRM5 | |
| SCHEMBL6954728 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2GRM5 | |
| SCHEMBL6960515 | 0.82 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2GRM5 | |
| SCHEMBL6955811 | 0.79 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2DYRK1A | |
| SCHEMBL6959500 | 0.76 | CYP3A4 (0.51) | 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 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 |
| US-5705499-A | VIRICIDES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1998-01-06 | — | — | US | disclosed |