Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL20170406 | 1.00 | CYP11B2 (0.33) | CYP11B2CYP3A4CYP2D6IDO1CYP2B6 | |
| SCHEMBL16720946 | 0.92 | CYP11B2 (0.32) | CYP11B2CYP3A4CYP2D6IDO1CYP2B6 | |
| SCHEMBL20170501 | 0.85 | HRH3 (0.34) | IDO1ALOX5APFEN1 | |
| SCHEMBL20170495 | 0.84 | CYP11B2 (0.33) | CYP11B2CYP3A4CYP2D6IDO1CYP2B6 | |
| SCHEMBL20170435 | 0.83 | ATR (0.31) | ATR | |
| SCHEMBL20170477 | 0.82 | SCN9A (0.31) | ALOX5APFEN1 | |
| SCHEMBL20170514 | 0.82 | KCNH2 (0.32) | ATR | |
| SCHEMBL16719065 | 0.80 | OGA (0.39) | CYP11B2CYP3A4CYP2D6IDO1CYP2B6 | |
| SCHEMBL16719057 | 0.78 | CYP11B2 (0.41) | CYP11B2CYP3A4CYP2D6IDO1CYP2B6 | |
| SCHEMBL18128796 | 0.78 | CYP11B2 (0.41) | CYP11B2CYP3A4CYP2D6IDO1CYP2B6 |
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-9975888-B2 | Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug | MERCK SHARP & DOHME CORP. (US) | 2018-05-22 | — | — | US | disclosed |