Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680357 | 0.94 | CYP2C9 (0.56) | CYP1A2CYP2C8CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL13680355 | 0.90 | CYP1A2 (0.74) | CYP1A2CYP2C8CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL12899594 | 0.89 | CYP1A2 (0.52) | CYP1A2CYP2C8CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL13680371 | 0.89 | CYP1A2 (0.74) | CYP1A2CYP2C8CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL13680391 | 0.89 | CYP2C9 (0.63) | CYP1A2CYP2C8CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL12899613 | 0.86 | CYP3A4 (0.55) | CYP1A2CYP2C8CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL13680382 | 0.86 | CYP1A2 (0.68) | CYP1A2CYP2C8CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL12899660 | 0.85 | CYP1A2 (0.68) | CYP1A2CYP2C8CYP2C9CYP3A4CYP2C19 | |
| Deleobuvir SCHEMBL900176 | 0.84 | CYP1A2 (0.76) | CYP1A2CYP2C8CYP2C9CYP3A4CYP2C19 | |
| Deleobuvir SCHEMBL900174 | 0.84 | CYP1A2 (0.76) | CYP1A2CYP2C8CYP2C9CYP3A4CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7879851-B2 | such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-01 | — | — | US | disclosed |