Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 6/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.31 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | VRK1 | Q99986 | 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 | |
|---|---|---|---|---|
| SCHEMBL6954103 | 0.87 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4035380 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2PARK7 | |
| SCHEMBL6952762 | 0.82 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6959913 | 0.82 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2PARK7 | |
| SCHEMBL6955968 | 0.81 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2PARK7 | |
| SCHEMBL5744358 | 0.80 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19CYP1A2PARK7 | |
| SCHEMBL4680335 | 0.79 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19CYP1A2PARK7 | |
| SCHEMBL6954771 | 0.78 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19CYP1A2PARK7 | |
| SCHEMBL6955583 | 0.78 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2PARK7 | |
| SCHEMBL6953433 | 0.78 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP1A2PARK7 |
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 |
| 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 |