Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CCL2 | P13500 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31225273 | 0.84 | CHRNB2 (0.42) | CHRNB2CHRNA4NQO1TP53CYP3A4 | |
| SCHEMBL16957550 | 0.84 | CHRNB2 (0.42) | CHRNB2CHRNA4NQO1TP53CYP3A4 | |
| SCHEMBL15716122 | 0.84 | TP53 (0.42) | CHRNB2CHRNA4NQO1TP53CYP3A4 | |
| SCHEMBL16957262 | 0.78 | NQO1 (0.45) | CHRNB2CHRNA4NQO1TP53CYP3A4 | |
| SCHEMBL16957258 | 0.77 | CHRNB2 (0.43) | CHRNB2CHRNA4NQO1TP53CYP3A4 | |
| SCHEMBL16952301 | 0.74 | KDM4E (0.43) | CHRNB2CHRNA4NQO1TP53CYP3A4 | |
| SCHEMBL10607711 | 0.74 | NQO1 (0.48) | NQO1TP53CYP3A4ALDH1A1HPGD | |
| SCHEMBL25314655 | 0.73 | MAPT (0.37) | ALDH1A1NPC1MEN1KMT2AMAPT | |
| SCHEMBL15716233 | 0.73 | ALDH1A1 (0.46) | CHRNB2CHRNA4NQO1TP53ALDH1A1 | |
| SCHEMBL16957548 | 0.73 | CHRNB2 (0.41) | CHRNB2CHRNA4NQO1TP53CYP3A4 |
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-119019309-A | GPR40 agonism-SSTR 5 antagonistic double-effect compound, preparation method and application thereof | 南昌大学 | 2024-11-26 | — | — | CN | disclosed |