Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 14/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8551857 | 0.93 | CYP3A4 (0.37) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL8300415 | 0.83 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL8548089 | 0.83 | ALDH1A1 (0.41) | CYP3A4CYP2C9CYP2C19BRD4PDE4A | |
| SCHEMBL8417093 | 0.78 | BRD4 (0.33) | BRD4PDE4APDE4CPDE4DALDH1A1 | |
| SCHEMBL8548965 | 0.77 | CHRM1 (0.36) | CYP1A2ALDH1A1 | |
| SCHEMBL8301130 | 0.77 | BRD4 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL8299587 | 0.77 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19BRD4ALDH1A1 | |
| SCHEMBL8306273 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL8889357 | 0.77 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL8298361 | 0.75 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 |
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 5 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 |
| US-5620974-A | ENZYME INHIBITOR, TREATS ACQUIRED IMMUNE DEFICIENCY SYNDROME(AIDS) | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1997-04-15 | — | — | US | disclosed |
| US-5366972-A | 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) | 1994-11-22 | — | — | US | disclosed |
| EP-0429987-A2 | 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) | 1991-06-05 | — | — | EP | disclosed |