Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6963340 | 0.80 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19CYP1A2DYRK1A | |
| SCHEMBL6955583 | 0.79 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2DYRK1A | |
| SCHEMBL6958487 | 0.79 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2DYRK1A | |
| SCHEMBL6959907 | 0.79 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2DYRK1A | |
| SCHEMBL6963775 | 0.79 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2DYRK1A | |
| SCHEMBL6955203 | 0.79 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2DYRK1A | |
| SCHEMBL6958186 | 0.79 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2DYRK1A | |
| SCHEMBL6954728 | 0.78 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL6960515 | 0.76 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6954771 | 0.74 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19CYP1A2NPC1 |
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 |