Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | DAO | P14920 | 3/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.43 |
| ▸ | CDK8 | P49336 | 2/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23886051 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CYP2C9HPGDDAONR3C1 | |
| SCHEMBL7874800 | 0.80 | HPGD (0.75) | ALDH1A1CYP2C9HPGDDAOPARP1 | |
| SCHEMBL12798188 | 0.79 | PARP1 (0.70) | CYP2C9PARP1AR | |
| SCHEMBL4697605 | 0.74 | PARP1 (0.53) | CYP2C9PARP1AR | |
| SCHEMBL23886080 | 0.73 | DAO (0.44) | ALDH1A1DAONR3C1KDM4E | |
| SCHEMBL12850310 | 0.72 | TYMP (0.68) | ALDH1A1DAONR3C1KDM4E | |
| SCHEMBL23885984 | 0.71 | PARP1 (0.54) | ALDH1A1CYP2C9HPGDDAOPARP1 | |
| SCHEMBL18127144 | 0.71 | PTGS1 (0.51) | ALDH1A1CYP2C9HPGDDAOKDM4E | |
| SCHEMBL19004698 | 0.71 | IDO1 (0.45) | KDM4E | |
| SCHEMBL14719140 | 0.71 | DAO (0.51) | ALDH1A1DAOPARP1KDM4EHSP90AA1 |
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-115485273-B | N- (heterocyclyl and heterocyclylalkyl) -3-benzyl pyridin-2-amine derivatives as SSTR4 agonists | 武田药品工业株式会社 | 2024-08-13 | — | — | CN | disclosed |
| CN-115485273-A | N- (heterocyclyl and heterocyclylalkyl) -3-benzylpyridin-2-amine derivatives as SSTR4 agonists | 武田药品工业株式会社 | 2022-12-16 | — | — | CN | disclosed |