Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | LTA4H | P09960 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PPARG | P37231 | 1/20 | 0.53 |
| ▸ | PPARA | Q07869 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL5305768 | 0.98 | ALDH1A1 (0.58) | ALDH1A1LTA4HCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4603241 | 0.93 | MEN1 (0.59) | ALDH1A1LTA4HCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4603238 | 0.93 | MEN1 (0.59) | ALDH1A1LTA4HCYP1A2CYP2D6CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL8976504 | 0.91 | MEN1 (0.57) | ALDH1A1LTA4HCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10338355 | 0.90 | CYP1A2 (0.63) | ALDH1A1LTA4HCYP1A2CYP2D6CYP2C19 | |
| Fumaric Acid SCHEMBL8866054 | 0.87 | PPARG (0.52) | ALDH1A1PPARGPPARAMEN1KMT2A | |
| SCHEMBL21286388 | 0.85 | CYP1A2 (0.58) | ALDH1A1CYP1A2CYP2D6CYP2C19SLC6A4 | |
| SCHEMBL17788984 | 0.84 | TAAR1 (0.65) | SLC6A4 | |
| SCHEMBL13708872 | 0.84 | CASR (0.49) | ALDH1A1LTA4HPPARGPPARASIGMAR1 | |
| SCHEMBL18811879 | 0.83 | TAAR1 (0.50) | ALDH1A1LTA4HCYP1A2CYP2D6CYP2C19 |
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-110655456-B | Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin | 浙江大学 | 2020-11-24 | — | — | CN | disclosed |
| CN-110655456-A | Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin | 浙江大学 | 2020-01-07 | — | — | CN | disclosed |