Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 15/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 14/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680352 | 0.99 | CYP3A4 (0.63) | CYP3A4CYP2C19CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL13680366 | 0.98 | CYP3A4 (0.62) | CYP3A4CYP2C19CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL12899628 | 0.94 | CYP3A4 (0.62) | CYP3A4CYP2C19CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL15109270 | 0.93 | CYP3A4 (0.70) | CYP3A4CYP2C19CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL12192147 | 0.93 | CYP3A4 (0.58) | CYP3A4CYP2C19CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL15109273 | 0.93 | CYP3A4 (0.70) | CYP3A4CYP2C19CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL12192150 | 0.93 | CYP3A4 (0.69) | CYP3A4CYP2C19CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL12899647 | 0.92 | CYP3A4 (0.60) | CYP3A4CYP2C19CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL12192148 | 0.91 | CYP3A4 (0.59) | CYP3A4CYP2C19CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL13680358 | 0.90 | CYP3A4 (0.63) | CYP3A4CYP2C19CYP1A2CYP2C8CYP2C9 |
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 |