Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | PPARA | Q07869 | 9/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7991793 | 0.86 | CA1 (0.53) | ALDH1A1PPARACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7983811 | 0.84 | EPHX2 (0.50) | ALDH1A1PPARACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1417538 | 0.84 | ALDH1A1 (0.49) | ALDH1A1PPARACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1417865 | 0.84 | PPARA (0.65) | ALDH1A1PPARACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1417819 | 0.81 | ALDH1A1 (0.56) | ALDH1A1PPARACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL12670849 | 0.80 | PPARA (0.52) | ALDH1A1PPARACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1417805 | 0.80 | PPARA (0.49) | ALDH1A1PPARAMAPTMEN1KMT2A | |
| SCHEMBL7998547 | 0.80 | CYP3A4 (0.45) | ALDH1A1PPARACYP3A4HSD11B1HSD11B2 | |
| SCHEMBL4000649 | 0.79 | PPARA (0.47) | ALDH1A1PPARACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL787522 | 0.79 | PPARA (0.67) | ALDH1A1PPARACYP1A2CYP3A4CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2298747-A1 | TRIAZOLE DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2011-03-23 | — | — | EP | disclosed |
| WO-2010001946-A1 | TRIAZOLE DERIVATIVE OR SALT THEREOF | アステラス製薬株式会社 (JP) | 2010-01-07 | — | — | WO | disclosed |