Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 11/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | DRD1 | P21728 | 3/20 | 0.33 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | DRD5 | P21918 | 3/20 | 0.33 |
| ▸ | DRD3 | P35462 | 3/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.33 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8550821 | 0.93 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL8548965 | 0.84 | CHRM1 (0.36) | CYP1A2DRD2DRD4DRD3 | |
| SCHEMBL8548089 | 0.82 | ALDH1A1 (0.41) | CYP3A4CYP2C9CYP2C19BRD4DRD2 | |
| SCHEMBL8299628 | 0.77 | BRD4 (0.45) | CYP3A4CYP2C9CYP2C19BRD4 | |
| SCHEMBL8417093 | 0.77 | BRD4 (0.33) | BRD4DRD2DRD1DRD4DRD5 | |
| SCHEMBL8300415 | 0.76 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL8550413 | 0.73 | GRM2 (0.38) | CYP3A4CYP2C9CYP2C19BRD4 | |
| SCHEMBL8790016 | 0.72 | BRD4 (0.47) | BRD4DRD2DRD1DRD3 | |
| SCHEMBL8301130 | 0.70 | BRD4 (0.41) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL8306273 | 0.69 | CYP3A4 (0.44) | 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 |