Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2881238 | 0.93 | CYP3A4 (0.37) | CYP3A4KCNH2CYP2C9CYP2C19RORC | |
| SCHEMBL2885704 | 0.89 | CYP3A4 (0.40) | CYP3A4KCNH2CYP2C9CYP2C19GPR139 | |
| SCHEMBL2885454 | 0.85 | CYP3A4 (0.36) | CYP3A4KCNH2CYP2C9CYP2C19RORC | |
| SCHEMBL2883932 | 0.77 | PTGS2 (0.39) | CYP3A4KCNH2RORC | |
| SCHEMBL13078696 | 0.77 | ALDH1A1 (0.45) | CYP3A4KCNH2CYP2C9CYP2C19RORC | |
| SCHEMBL13079320 | 0.77 | CNR1 (0.38) | CYP3A4KCNH2GPR139 | |
| SCHEMBL2882762 | 0.76 | RORC (0.39) | CYP3A4KCNH2CYP2C9CYP2C19RORC | |
| SCHEMBL2878137 | 0.76 | KCNH2 (0.40) | CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL2885434 | 0.76 | KMT2A (0.39) | RORC | |
| SCHEMBL2885918 | 0.75 | GLA (0.34) | CYP3A4CYP2C9CYP2C19 |
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-7781454-B2 | Non-nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-08-24 | — | — | US | disclosed |