Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29671972 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CNR1SMN1; SMN2PIK3CDCYP3A4 | |
| SCHEMBL29671986 | 0.94 | TP53 (0.47) | ALDH1A1SMN1; SMN2PIK3CDCYP3A4AKT1 | |
| SCHEMBL28755210 | 0.94 | TP53 (0.47) | ALDH1A1SMN1; SMN2PIK3CDCYP3A4AKT1 | |
| SCHEMBL28755234 | 0.90 | SMN1; SMN2 (0.54) | SMN1; SMN2PIK3CDCYP3A4AKT1PIK3CA | |
| SCHEMBL29671980 | 0.90 | SMN1; SMN2 (0.54) | SMN1; SMN2PIK3CDCYP3A4AKT1PIK3CA | |
| SCHEMBL29671971 | 0.90 | MAPT (0.42) | ALDH1A1CNR1SMN1; SMN2PIK3CDAKT1 | |
| SCHEMBL28755194 | 0.90 | MAPT (0.42) | ALDH1A1CNR1SMN1; SMN2PIK3CDAKT1 | |
| SCHEMBL29671839 | 0.90 | MAPT (0.47) | ALDH1A1SMN1; SMN2PIK3CDAKT1PIK3CB | |
| SCHEMBL28755227 | 0.90 | MAPT (0.47) | ALDH1A1SMN1; SMN2PIK3CDAKT1PIK3CB | |
| SCHEMBL28755086 | 0.87 | MAPT (0.56) | ALDH1A1SMN1; SMN2AKT1MAPTUSP2 |
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-114573582-B | 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof | 沈阳药科大学 | 2023-06-16 | — | — | CN | claimed |
| CN-114573582-B | 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof | 沈阳药科大学 | 2023-06-16 | — | — | CN | disclosed |
| CN-114573582-A | 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof | 沈阳药科大学 | 2022-06-03 | — | — | CN | disclosed |