Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 14/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 3/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8299587 | 0.84 | CYP3A4 (0.52) | BRD4CYP3A4CYP2C9CYP2C19CASP1 | |
| SCHEMBL8889357 | 0.83 | CYP3A4 (0.42) | BRD4CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8306273 | 0.83 | CYP3A4 (0.44) | BRD4CYP3A4CYP2C9CYP2C19CASP1 | |
| SCHEMBL8298361 | 0.81 | CYP3A4 (0.41) | BRD4CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8300415 | 0.81 | CYP3A4 (0.45) | BRD4CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8301155 | 0.79 | CYP3A4 (0.40) | BRD4CYP3A4CYP2C9CYP2C19CASP1 | |
| SCHEMBL8547631 | 0.78 | CYP3A4 (0.39) | BRD4CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8545648 | 0.78 | CYP3A4 (0.39) | BRD4CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8701364 | 0.78 | CYP3A4 (0.39) | BRD4CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8301122 | 0.78 | CYP3A4 (0.46) | BRD4CYP3A4CYP2C9CYP2C19CYP1A2 |
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 |