Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 3/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 2/20 | 0.44 |
| ▸ | PDE6D | O43924 | 1/20 | 0.44 |
| ▸ | PDE6A | P16499 | 1/20 | 0.44 |
| ▸ | PDE6G | P18545 | 1/20 | 0.44 |
| ▸ | PDE6B | P35913 | 1/20 | 0.44 |
| ▸ | PDE6C | P51160 | 1/20 | 0.44 |
| ▸ | PDE6H | Q13956 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17420631 | 1.00 | ALDH1A1 (0.47) | ALDH1A1MAPTCNR2MRGPRX4SMN1; SMN2 | |
| SCHEMBL21501283 | 0.89 | CNR2 (0.49) | ALDH1A1MAPTCNR2SMN1; SMN2PDE5A | |
| SCHEMBL17420471 | 0.89 | MRGPRX4 (0.45) | MAPTMRGPRX4CYP2C19ACSS2MAPK1 | |
| SCHEMBL17223679 | 0.87 | ACSS2 (0.44) | ALDH1A1MAPTCNR2SMN1; SMN2GAA | |
| SCHEMBL30730313 | 0.85 | MAPT (0.53) | ALDH1A1MAPTCNR2MRGPRX4SMN1; SMN2 | |
| SCHEMBL17420479 | 0.85 | RORC (0.45) | ALDH1A1MAPTMRGPRX4SMN1; SMN2CYP2C19 | |
| SCHEMBL31560853 | 0.84 | HTT (0.45) | ALDH1A1CNR2HTTACSS2MAPK1 | |
| SCHEMBL17420733 | 0.84 | ACSS2 (0.44) | ALDH1A1MAPTMRGPRX4SMN1; SMN2CYP2C19 | |
| SCHEMBL30628265 | 0.84 | ACSS2 (0.44) | ALDH1A1MAPTMRGPRX4SMN1; SMN2CYP2C19 | |
| SCHEMBL137234 | 0.83 | ALDH1A1 (0.45) | ALDH1A1MAPTCNR2SMN1; SMN2HTT |
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-111170991-B | Antiproliferative compounds and methods of synthesis thereof | 细胞基因公司 | 2023-10-31 | — | — | CN | disclosed |