Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 12/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22724618 | 1.00 | KRAS (0.42) | KRASCHRNB4CHRNA3MEN1MAPT | |
| SCHEMBL30957839 | 1.00 | KRAS (0.42) | KRASCHRNB4CHRNA3MEN1MAPT | |
| SCHEMBL22720285 | 0.89 | KRAS (0.42) | KRASCHRNB4CHRNA3GPR119CHRNB2 | |
| SCHEMBL22720353 | 0.88 | KRAS (0.44) | KRASCHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL22720351 | 0.88 | KRAS (0.44) | KRASCHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL22720294 | 0.85 | KRAS (0.56) | KRAS | |
| SCHEMBL22720296 | 0.85 | KRAS (0.56) | KRAS | |
| SCHEMBL22720271 | 0.84 | KRAS (0.46) | KRASCHRNB4CHRNA3GPR119CHRNB2 | |
| SCHEMBL22720227 | 0.84 | KRAS (0.46) | KRASCHRNB4CHRNA3GPR119CHRNB2 | |
| SCHEMBL30957849 | 0.84 | KRAS (0.46) | KRASCHRNB4CHRNA3GPR119CHRNB2 |
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 |