Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CDK1 | P06493 | 11/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 10/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 10/20 | 0.44 |
| ▸ | CDK2 | P24941 | 10/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 10/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.44 |
| ▸ | MGMT | P16455 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7905650 | 0.76 | EGFR (0.63) | ALDH1A1CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL401117 | 0.68 | PDPK1 (0.59) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL28004539 | 0.68 | BRAF (0.54) | CDK2PIN1MGMTEGFRCSF1R | |
| SCHEMBL28004918 | 0.68 | PDPK1 (0.44) | ALDH1A1CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL28004524 | 0.67 | EGFR (0.47) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL28004526 | 0.66 | CDK2 (0.47) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL887836 | 0.64 | DPP4 (0.44) | ALDH1A1CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL2933190 | 0.63 | ADORA1 (0.69) | ALDH1A1CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL4455870 | 0.63 | CDK2 (0.62) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL72543 | 0.63 | CDK2 (0.62) | ALDH1A1CDK1CCNB1CCNA2CDK2 |
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-116492347-A | Compound for activating AMPK and application thereof | 华安医学股份有限公司 | 2023-07-28 | — | — | CN | disclosed |