Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 14/20 | 0.35 |
| ▸ | HSF1 | Q00613 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL8708316 | 0.88 | ALDH1A1 (0.36) | BRD4 | |
| SCHEMBL8706414 | 0.88 | PARP1 (0.34) | BRD4HSF1 | |
| SCHEMBL8707904 | 0.84 | BRD4 (0.39) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL8547631 | 0.83 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL6954889 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19HSF1CYP1A2 | |
| SCHEMBL8701057 | 0.81 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL8701364 | 0.81 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL8299587 | 0.80 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19BRD4 | |
| SCHEMBL8701079 | 0.80 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL8889357 | 0.80 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5837704-A | PREVENTION OR TREATMENT OF AIDS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1998-11-17 | — | — | US | disclosed |
| EP-0745083-B1 | 2-HETEROARYL-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) | 1998-05-20 | — | — | EP | disclosed |