Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL8889064 | 0.87 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8299624 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8304418 | 0.82 | ALDH1A1 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8299578 | 0.81 | ALDH1A1 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5743837 | 0.76 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5746722 | 0.74 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8888835 | 0.70 | ALDH1A1 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5744396 | 0.69 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8891082 | 0.68 | ALDH1A1 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5745845 | 0.68 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 |
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-0429987-B1 | 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) | 1999-03-17 | — | — | EP | claimed |
| EP-0429987-B1 | 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) | 1999-03-17 | — | — | EP | disclosed |