Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.39 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31410710 | 0.82 | ESR2 (0.76) | ESR2ALDH1A1CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL8526945 | 0.81 | APP (0.39) | ESR2ALDH1A1CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL7408966 | 0.81 | ESR2 (0.59) | ESR2ALDH1A1CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL23742281 | 0.81 | ESR2 (0.54) | ESR2ALDH1A1CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL5141361 | 0.80 | TSHR (0.57) | ALDH1A1CYP3A4HSD17B10TSHRHPGD | |
| SCHEMBL7435402 | 0.79 | ESR2 (0.56) | ESR2ALDH1A1CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL20112613 | 0.79 | ALDH1A1 (0.46) | ESR2ALDH1A1CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL29799042 | 0.79 | ESR2 (0.66) | ESR2ALDH1A1CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL27963955 | 0.79 | ESR2 (0.66) | ESR2ALDH1A1CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL313 | 0.79 | ESR2 (0.66) | ESR2ALDH1A1CYP1A2CYP3A4HSD17B10 |
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-3822253-A1 | METHOD FOR PREPARING PROPANEDINITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND | Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) | 2021-05-19 | — | — | EP | disclosed |
| US-5726319-A | Biphenyl substituted dipeptide analogs promote release of growth hormone | MERCK & CO., INC. (US) | 1998-03-10 | — | — | US | disclosed |