Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 15/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 14/20 | 0.57 |
| ▸ | CTSG | P08311 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL12899622 | 0.92 | KCNH2 (0.55) | KCNH2CYP3A4CYP2C19CTSGMAOA | |
| SCHEMBL13680359 | 0.92 | CYP3A4 (0.64) | KCNH2CYP3A4CYP2C19CTSGMAOA | |
| SCHEMBL13680370 | 0.91 | CYP3A4 (0.63) | KCNH2CYP3A4CYP2C19CTSGMAOA | |
| SCHEMBL12899618 | 0.90 | KCNH2 (0.62) | KCNH2CYP3A4CYP2C19CTSGMAOA | |
| SCHEMBL12899624 | 0.89 | CYP3A4 (0.62) | KCNH2CYP3A4CYP2C19CTSGMAOA | |
| SCHEMBL13680389 | 0.87 | CYP3A4 (0.70) | KCNH2CYP3A4CYP2C19CTSGMAOA | |
| SCHEMBL15109277 | 0.87 | CYP3A4 (0.70) | KCNH2CYP3A4CYP2C19CTSGMAOA | |
| SCHEMBL12192078 | 0.86 | CYP3A4 (0.58) | KCNH2CYP3A4CYP2C19CTSGMAOA | |
| SCHEMBL12899578 | 0.86 | KCNH2 (0.59) | KCNH2CYP3A4CYP2C19CTSGMAOA | |
| SCHEMBL12192106 | 0.85 | CYP3A4 (0.55) | KCNH2CYP3A4CYP2C19CTSGMAOA |
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 |