Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 9/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30957849 | 1.00 | KRAS (0.46) | KRASCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL22720271 | 1.00 | KRAS (0.46) | KRASCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL28710948 | 0.87 | KRAS (0.46) | KRASCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL28710949 | 0.87 | KRAS (0.46) | KRASCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL22720285 | 0.84 | KRAS (0.42) | KRASCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL22720307 | 0.84 | KRAS (0.42) | KRASCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL30957839 | 0.84 | KRAS (0.42) | KRASCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL22724618 | 0.84 | KRAS (0.42) | KRASCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL22720273 | 0.83 | KRAS (0.52) | KRAS | |
| SCHEMBL21722155 | 0.83 | KRAS (0.52) | KRAS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113396147-B | Aromatic heterocyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-06-18 | — | — | CN | disclosed |
| WO-2020239123-A1 | AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2020-12-03 | — | — | WO | disclosed |