Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5668789 | 0.89 | LMNA (0.54) | ALDH1A1TDP1FFAR1LMNANPC1 | |
| SCHEMBL20397947 | 0.82 | TDP1 (0.50) | ALDH1A1TDP1HCAR2KEAP1FFAR1 | |
| SCHEMBL4964402 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TDP1HCAR2KEAP1FFAR1 | |
| SCHEMBL111422 | 0.80 | ALDH1A1 (0.64) | ALDH1A1TDP1HCAR2KEAP1ESR1 | |
| SCHEMBL1071630 | 0.80 | ALDH1A1 (0.64) | ALDH1A1TDP1HCAR2PTGS2LMNA | |
| Benzene SCHEMBL19304565 | 0.80 | ALDH1A1 (0.64) | ALDH1A1TDP1HCAR2KEAP1ESR1 | |
| SCHEMBL4351183 | 0.80 | ALDH1A1 (0.64) | ALDH1A1TDP1HCAR2KEAP1ESR1 | |
| SCHEMBL383730 | 0.79 | LMNA (0.57) | ALDH1A1TDP1HCAR2KEAP1FFAR1 | |
| Acetic Acid SCHEMBL19951529 | 0.78 | ALDH1A1 (0.62) | ALDH1A1TDP1HCAR2ESR1ESR2 | |
| SCHEMBL27897041 | 0.78 | ALDH1A1 (0.62) | ALDH1A1TDP1HCAR2KEAP1ESR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101395150-A | Phenethanolamine derivatives as beta2 adrenoreceptor agonists | ASTRAZENECA AB (SE) | 2009-03-25 | — | — | CN | disclosed |
| EP-0449603-A1 | Production of 4-hydroxyphenethyl alcohol | HOECHST CELANESE CORPORATION (US) | 1991-10-02 | — | — | EP | disclosed |
| US-5003115-A | Epoxidation of acetoxystyrene with a percarboxylic acid to produce acetoxyphenyl oxirane, hydrogenation followed by saponification | HOECHST CELANESE CORPORATION (US) | 1991-03-26 | — | — | US | disclosed |