Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 4/20 | 0.32 |
| ▸ | KDM1B | Q8NB78 | 2/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL11352146 | 0.80 | CA1 (0.39) | DRD2DRD3ADRA1ACA1CA2 | |
| SCHEMBL11348400 | 0.80 | DRD2 (0.46) | DRD2DRD3ADRA1ACA1CA2 | |
| SCHEMBL11362964 | 0.77 | HTR2C (0.44) | DRD2DRD3ADRA1ACA1CA2 | |
| SCHEMBL11358755 | 0.77 | ADRA1A (0.34) | DRD2DRD3ADRA1ACA1CA2 | |
| SCHEMBL11352206 | 0.77 | ADRA1A (0.34) | DRD2DRD3ADRA1ACA1CA2 | |
| SCHEMBL15021647 | 0.77 | TRPV1 (0.32) | — | |
| SCHEMBL11352163 | 0.77 | KDM1A (0.42) | DRD2DRD3ADRA1ACA1CA2 | |
| SCHEMBL1239050 | 0.72 | DRD2 (0.70) | DRD2DRD3PLAU | |
| SCHEMBL31277853 | 0.72 | DRD2 (0.70) | DRD2DRD3PLAU | |
| SCHEMBL11362275 | 0.69 | CA1 (0.37) | DRD2DRD3ADRA1ACA1CA2 |
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 |