Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | WRN | Q14191 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28214635 | 0.78 | MEN1 (0.37) | ALDH1A1CYP1A2HPGDCYP2C19BLM | |
| SCHEMBL4057468 | 0.72 | NPSR1 (0.36) | ALDH1A1HPGDCYP19A1 | |
| SCHEMBL14214803 | 0.72 | — | — | |
| SCHEMBL5793135 | 0.70 | PTGS2 (0.35) | ALDH1A1HPGDCYP19A1 | |
| SCHEMBL27739344 | 0.70 | ALDH1A1 (0.44) | ALDH1A1CYP1A2HPGDCYP2C19BLM | |
| SCHEMBL4055577 | 0.70 | — | — | |
| SCHEMBL27766028 | 0.69 | ACHE (0.40) | ALDH1A1CYP1A2HPGDCYP2C19BLM | |
| SCHEMBL10360818 | 0.68 | CYP19A1 (0.34) | ALDH1A1HPGDCYP19A1 | |
| SCHEMBL13283579 | 0.67 | CYP19A1 (0.36) | CYP19A1 | |
| SCHEMBL7601079 | 0.67 | ALDH1A1 (0.32) | ALDH1A1CYP19A1 |
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-109311857-A | Pyrimidin-2-ylamino-1H-pyrazoles as LRRK2 inhibitors for the treatment of neurodegenerative disorders | 戴纳立制药公司 | 2019-02-05 | — | — | CN | disclosed |