Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | PLAAT3 | P53816 | 2/20 | 0.46 |
| ▸ | PLAAT5 | Q96KN8 | 2/20 | 0.46 |
| ▸ | PLAAT2 | Q9NWW9 | 2/20 | 0.46 |
| ▸ | PLAAT4 | Q9UL19 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10047763 | 0.87 | CYP2C19 (0.54) | ALDH1A1CYP2C19CYP2C9PLAAT3PLAAT5 | |
| SCHEMBL15038458 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP2C19CYP2C9PLAAT3PLAAT5 | |
| SCHEMBL10047770 | 0.77 | CYP2C9 (0.51) | ALDH1A1CYP2C19CYP2C9PLAAT3PLAAT5 | |
| SCHEMBL3635719 | 0.75 | ALDH1A1 (0.51) | ALDH1A1CYP2C19CYP2C9MAPTKMT2A | |
| SCHEMBL15038479 | 0.74 | CYP2C19 (0.44) | ALDH1A1CYP2C19CYP2C9MAPTKMT2A | |
| SCHEMBL15038438 | 0.72 | CYP2C19 (0.40) | ALDH1A1CYP2C19CYP2C9PLAAT3PLAAT5 | |
| SCHEMBL11068784 | 0.72 | MEN1 (0.61) | ALDH1A1CYP2C19CYP2C9PLAAT3PLAAT5 | |
| SCHEMBL17231391 | 0.71 | CYP2C9 (0.72) | ALDH1A1CYP2C19CYP2C9PLAAT3PLAAT5 | |
| SCHEMBL26764681 | 0.71 | MEN1 (0.61) | ALDH1A1CYP2C19CYP2C9MAPTKMT2A | |
| SCHEMBL10055429 | 0.71 | CYP2C9 (0.50) | ALDH1A1CYP2C19CYP2C9MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012020742-A1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 塩野義製薬株式会社 (JP) | 2012-02-16 | — | — | WO | disclosed |