Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.33 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.31 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.31 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.31 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5745671 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2CYP1B1 | |
| SCHEMBL5746037 | 0.87 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19CYP1A2CYP1B1 | |
| SCHEMBL4035380 | 0.86 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2CYP1B1 | |
| SCHEMBL5744876 | 0.83 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2CYP1B1 | |
| SCHEMBL5745003 | 0.81 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CYP1A2CYP1B1 | |
| SCHEMBL6963775 | 0.81 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2DCLK1 | |
| SCHEMBL6960855 | 0.74 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19CYP1A2DCLK1 | |
| SCHEMBL6959247 | 0.74 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2DCLK1 | |
| SCHEMBL6965130 | 0.74 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2DCLK1 | |
| SCHEMBL6958112 | 0.74 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2DCLK1 |
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 |