Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL28673314 | 1.00 | ALDH1A1 (0.34) | ALDH1A1METNOS1BDKRB2KDM4E | |
| SCHEMBL30950217 | 0.78 | KCNH2 (0.35) | — | |
| SCHEMBL28655570 | 0.78 | KCNH2 (0.35) | — | |
| SCHEMBL30950265 | 0.76 | HPGDS (0.54) | METBRD4 | |
| SCHEMBL30950241 | 0.75 | UCHL1 (0.32) | — | |
| SCHEMBL24373525 | 0.73 | KDM4E (0.51) | ALDH1A1KDM4E | |
| SCHEMBL29479071 | 0.73 | KDM4E (0.51) | ALDH1A1KDM4E | |
| SCHEMBL28655555 | 0.72 | AR (0.42) | ALDH1A1KDM4E | |
| SCHEMBL30774201 | 0.71 | ALDH1A1 (0.50) | ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL18264128 | 0.71 | ALDH1A1 (0.50) | ALDH1A1KDM4EL3MBTL1 |
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-113637005-B | KRAS inhibitors for cancer treatment | 泰励生物科技（上海）有限公司 | 2024-05-24 | — | — | CN | disclosed |