Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | PTPN7 | P35236 | 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 | |
|---|---|---|---|---|
| SCHEMBL6965878 | 1.00 | CYP2C9 (0.42) | CYP2C9CYP2C19CYP3A4CYP1A2GRM5 | |
| SCHEMBL6965871 | 1.00 | CYP2C9 (0.42) | CYP2C9CYP2C19CYP3A4CYP1A2GRM5 | |
| SCHEMBL6966700 | 0.91 | CYP3A4 (0.39) | CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL6966708 | 0.91 | CYP3A4 (0.39) | CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL6958064 | 0.89 | CYP3A4 (0.42) | CYP2C9CYP2C19CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL6958068 | 0.89 | CYP3A4 (0.42) | CYP2C9CYP2C19CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL6958112 | 0.88 | CYP3A4 (0.41) | CYP2C9CYP2C19CYP3A4CYP1A2L3MBTL1 | |
| SCHEMBL6954263 | 0.87 | CYP3A4 (0.41) | CYP2C9CYP2C19CYP3A4CYP1A2L3MBTL1 | |
| SCHEMBL6960522 | 0.86 | PTGS2 (0.38) | CYP2C9CYP2C19CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL6960520 | 0.86 | PTGS2 (0.38) | CYP2C9CYP2C19CYP3A4CYP1A2ALDH1A1 |
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 |