Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 0.31 |
| ▸ | GABRD | O14764 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24599098 | 0.80 | GABRP (0.45) | CYP1A2NAALAD2ALDH1A1ESR1CYP3A4 | |
| SCHEMBL12461300 | 0.75 | — | — | |
| SCHEMBL22855965 | 0.75 | PRKCA (0.37) | — | |
| SCHEMBL20118206 | 0.73 | — | — | |
| SCHEMBL13257754 | 0.73 | THRB (0.38) | CYP1A2NAALAD2ALDH1A1ESR1CYP3A4 | |
| SCHEMBL14038155 | 0.73 | — | — | |
| Succinic Acid SCHEMBL13269139 | 0.72 | ALDH1A1 (0.45) | CYP1A2ALDH1A1GABRPGABRDGABRA1 | |
| SCHEMBL28184813 | 0.72 | ALDH1A1 (0.42) | CYP1A2NAALAD2ALDH1A1ESR1CYP3A4 | |
| SCHEMBL21666853 | 0.72 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL12410508 | 0.72 | NAALAD2 (0.43) | CYP1A2NAALAD2ALDH1A1ESR1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023001286-A1 | POLYOL-MODIFIED LIPID COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF | 天津键凯科技有限公司 | 2023-01-26 | — | — | WO | disclosed |