Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | FLT4 | P35916 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 4/20 | 0.33 |
| ▸ | XDH | P47989 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | BCL2 | P10415 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24755438 | 1.00 | ALDH1A1 (0.35) | ALDH1A1MAPTMAPK1KMT2ATDP1 | |
| SCHEMBL30048852 | 1.00 | ALDH1A1 (0.35) | ALDH1A1MAPTMAPK1KMT2ATDP1 | |
| SCHEMBL24755442 | 0.86 | KDM4E (0.33) | ALDH1A1MAPTKMT2ATDP1KDM4E | |
| SCHEMBL31650059 | 0.83 | ALDH1A1 (0.36) | ALDH1A1MAPTMAPK1KMT2ATDP1 | |
| SCHEMBL25642895 | 0.83 | ALDH1A1 (0.36) | ALDH1A1MAPTMAPK1KMT2ATDP1 | |
| SCHEMBL31048409 | 0.83 | ALDH1A1 (0.36) | ALDH1A1MAPTMAPK1KMT2ATDP1 | |
| SCHEMBL24755482 | 0.76 | EGFR (0.41) | ALDH1A1KMT2AKDM4EKITPDGFRA | |
| SCHEMBL30049403 | 0.76 | EGFR (0.41) | ALDH1A1KMT2AKDM4EKITPDGFRA | |
| SCHEMBL15129412 | 0.76 | HTT (0.35) | HTT | |
| SCHEMBL18204519 | 0.75 | MAPT (0.36) | ALDH1A1MAPTKMT2AMEN1GAA |
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-117813306-A | Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use | 上海科州药物研发有限公司 | 2024-04-02 | — | — | CN | disclosed |