Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26391639 | 0.84 | ALDH1A1 (0.39) | ALDH1A1ESR1ESR2NR1H4SKP2 | |
| SCHEMBL10629149 | 0.77 | ALDH1A1 (0.41) | ALDH1A1ESR1ESR2NR1H4SKP2 | |
| SCHEMBL5511404 | 0.76 | SLC6A2 (0.52) | ALDH1A1ESR1ESR2SKP2LMNA | |
| SCHEMBL18433282 | 0.74 | ALDH1A1 (0.38) | ALDH1A1ESR1ESR2NR1H4SKP2 | |
| SCHEMBL28446506 | 0.73 | IDO1 (0.46) | ALDH1A1ESR1LMNAMAPTCYP1A2 | |
| SCHEMBL29377856 | 0.73 | ALDH1A1 (0.40) | ALDH1A1ESR1ESR2NR1H4LMNA | |
| SCHEMBL540384 | 0.73 | ALDH1A1 (0.40) | ALDH1A1ESR1ESR2NR1H4LMNA | |
| SCHEMBL24297529 | 0.72 | ALDH1A1 (0.37) | ALDH1A1ESR1ESR2SKP2LMNA | |
| SCHEMBL19803175 | 0.72 | ALDH1A1 (0.37) | ALDH1A1ESR1ESR2SKP2LMNA | |
| SCHEMBL31371688 | 0.72 | ESR1 (0.61) | ALDH1A1ESR1ESR2LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-107417509-B | Preparation method of phenylacetic acid compound | 上海康鹏科技股份有限公司 | 2020-08-25 | — | — | CN | disclosed |