Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | MGMT | P16455 | 1/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1900091 | 0.78 | CYP2D6 (0.59) | CYP2D6ALDH1A1ATM | |
| SCHEMBL29162739 | 0.76 | MPO (0.46) | CYP2D6ALDH1A1ATMCDK1CCNB1 | |
| SCHEMBL28152067 | 0.75 | CYP2D6 (0.54) | CYP2D6ALDH1A1ATM | |
| SCHEMBL13686467 | 0.75 | CYP2D6 (0.54) | CYP2D6ALDH1A1ATM | |
| SCHEMBL28594009 | 0.75 | DHFR (0.56) | ALDH1A1CCNA2CDK2CCNA1 | |
| SCHEMBL1034103 | 0.75 | CYP2D6 (0.54) | CYP2D6ALDH1A1ATM | |
| SCHEMBL4267380 | 0.72 | MGMT (0.54) | CYP2D6CDK1CCNB1MGMTCCNA2 | |
| SCHEMBL21313144 | 0.72 | ADORA2A (0.62) | CYP2D6ALDH1A1ATM | |
| SCHEMBL1270330 | 0.72 | NPC1 (0.51) | ALDH1A1ATM | |
| SCHEMBL7015503 | 0.72 | KDM4E (0.46) | ALDH1A1 |
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-104797263-B | For treating the micropore zirconium silicate of potassemia | ZS制药公司 | 2018-02-09 | — | — | CN | disclosed |