Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 3/20 | 0.39 |
| ▸ | ACP3 | P15309 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7299447 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL28337644 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1893357 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL10420202 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1700175 | 0.75 | ADRA2A (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL5731352 | 0.74 | CES2 (0.41) | ALDH1A1CYP2C9KMT2A | |
| SCHEMBL9950211 | 0.74 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL19514728 | 0.74 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL9950214 | 0.74 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL30861790 | 0.74 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-110564755-B | Method for preparing (S) -3-phenyl-1, 2-epoxypropane and derivatives thereof by using biological enzyme catalysis | 河南农业大学 | 2021-01-12 | — | — | CN | disclosed |
| CN-110564755-A | Method for preparing (S) -3-phenyl-1, 2-epoxypropane and derivatives thereof by using biological enzyme catalysis | 河南农业大学 | 2019-12-13 | — | — | CN | disclosed |