Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | HASPIN | Q8TF76 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22094015 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19TAAR1CYP2A6 | |
| SCHEMBL31309148 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19TAAR1CYP2A6 | |
| SCHEMBL22094445 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C19MAPTCASP1 | |
| SCHEMBL20669649 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19MAPTCASP1 | |
| SCHEMBL31309047 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19MAPTCASP1 | |
| SCHEMBL22094249 | 0.74 | SLC6A2 (0.47) | ALDH1A1CYP1A2CYP2C19SLC6A4 | |
| SCHEMBL31308963 | 0.74 | SLC6A2 (0.47) | ALDH1A1CYP1A2CYP2C19SLC6A4 | |
| SCHEMBL24968896 | 0.73 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19MAPTCASP1 | |
| SCHEMBL2142409 | 0.72 | SLC6A4 (0.58) | TAAR1MAPTSLC6A4 | |
| SCHEMBL27939661 | 0.72 | SLC13A5 (0.48) | TAAR1CYP2A6HTR2ATLR8 |
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-113923988-B | Substituted arylmethyl ureas and heteroarylmethyl ureas, analogs thereof, and methods of using the same | 爱彼特生物制药公司 | 2024-12-13 | — | — | CN | disclosed |