Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL13560485 | 0.96 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| SCHEMBL3806478 | 0.92 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| SCHEMBL13634118 | 0.91 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| SCHEMBL13982455 | 0.89 | CYP1A2 (0.33) | CYP3A4CYP1A2EPHX2MET | |
| SCHEMBL3800799 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| SCHEMBL3639074 | 0.88 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| SCHEMBL3638768 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL3805676 | 0.87 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| Trifluoroacetic Acid SCHEMBL13560338 | 0.87 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| SCHEMBL3639944 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 |
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-8304419-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2012-11-06 | — | — | US | disclosed |