Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5131533 | 1.00 | CYP1A2 (0.39) | CYP1A2CYP2C19TDP1EGFRPPARG | |
| SCHEMBL6185894 | 0.78 | MEN1 (0.39) | CYP1A2CYP2C19TDP1PPARGPPARA | |
| SCHEMBL3707871 | 0.72 | PGR (0.47) | CYP1A2CYP2C19TDP1MAPTALDH1A1 | |
| SCHEMBL27969407 | 0.72 | CYP2C19 (0.42) | CYP1A2CYP2C19TDP1EGFRPPARA | |
| SCHEMBL13731859 | 0.72 | CYP1A2 (0.44) | CYP1A2CYP2C19TDP1EGFRGLA | |
| SCHEMBL10973888 | 0.71 | PPARA (0.47) | TDP1EGFRPPARGPPARAMAPT | |
| SCHEMBL10980321 | 0.71 | PPARA (0.47) | TDP1EGFRPPARGPPARAMAPT | |
| SCHEMBL9058208 | 0.71 | PPARA (0.47) | TDP1EGFRPPARGPPARAMAPT | |
| SCHEMBL31376582 | 0.71 | CYP1A2 (0.42) | CYP1A2CYP2C19TDP1EGFRPPARA | |
| SCHEMBL31501587 | 0.71 | CYP1A2 (0.42) | CYP1A2CYP2C19TDP1EGFRPPARA |
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-2008147547-A1 | SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2008-12-04 | — | — | WO | disclosed |