Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 3/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 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 | |
|---|---|---|---|---|
| SCHEMBL24392929 | 1.00 | PIN1 (0.43) | PIN1ALDH1A1GAAPOLBCASP6 | |
| SCHEMBL29250583 | 0.78 | ALDH1A1 (0.41) | PIN1ALDH1A1GAAPOLBCASP6 | |
| SCHEMBL30584582 | 0.78 | PIN1 (0.56) | PIN1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL29250669 | 0.78 | PIN1 (0.56) | PIN1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL13068257 | 0.75 | POLB (0.47) | PIN1ALDH1A1POLBCASP6MEN1 | |
| SCHEMBL24393173 | 0.75 | MAPK1 (0.53) | EGFRAURKAKDRSYK | |
| SCHEMBL30635854 | 0.74 | EGFR (0.47) | PIN1ALDH1A1POLBCASP6EGFR | |
| SCHEMBL4171567 | 0.74 | EGFR (0.47) | PIN1ALDH1A1POLBCASP6EGFR | |
| SCHEMBL3334570 | 0.73 | PIN1 (0.64) | PIN1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL30635855 | 0.73 | PIN1 (0.64) | PIN1ALDH1A1GAAMEN1KMT2A |
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-116685583-A | Pyrimidine compounds, compositions and pharmaceutical uses thereof | 缆图药品公司 | 2023-09-01 | — | — | CN | disclosed |