Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24577909 | 0.82 | L3MBTL1 (0.52) | ALDH1A1MAPTPOLBAPEX1S1PR4 | |
| SCHEMBL14856213 | 0.77 | ALDH1A1 (0.35) | ALDH1A1S1PR4S1PR1S1PR3S1PR5 | |
| SCHEMBL12635264 | 0.76 | PAOX (0.43) | PAOXALDH1A1MAPTPOLBL3MBTL1 | |
| SCHEMBL12602739 | 0.75 | PAOX (0.59) | PAOXALDH1A1MAPTPOLBL3MBTL1 | |
| SCHEMBL23344402 | 0.75 | — | — | |
| SCHEMBL5484731 | 0.74 | PAOX (0.35) | PAOXALDH1A1MAPTPOLBAPEX1 | |
| SCHEMBL12635284 | 0.74 | MAPT (0.40) | PAOXALDH1A1MAPTPOLBKMT2A | |
| SCHEMBL12674147 | 0.74 | S1PR4 (0.36) | S1PR4S1PR1S1PR3S1PR5 | |
| SCHEMBL16634787 | 0.73 | PAOX (0.34) | PAOXALDH1A1MAPTPOLBAPEX1 | |
| SCHEMBL3656482 | 0.72 | MAOB (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115340555-A | Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-113173924-B | Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2022-07-19 | — | — | CN | disclosed |
| CN-113173924-A | Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2021-07-27 | — | — | CN | disclosed |