Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.39 |
| ▸ | PGK1 | P00558 | 5/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | STK17B | O94768 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26627874 | 1.00 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2KDM4ESTK17APGK1 | |
| SCHEMBL1442559 | 0.82 | PGK1 (0.51) | ALDH1A1SMN1; SMN2KDM4ESTK17APGK1 | |
| SCHEMBL2061777 | 0.80 | STK17A (0.47) | ALDH1A1STK17APGK1L3MBTL1CDK1 | |
| SCHEMBL13648989 | 0.79 | NUDT1 (0.38) | ALDH1A1STK17APGK1L3MBTL1CDK1 | |
| SCHEMBL1443776 | 0.78 | BCL6 (0.44) | ALDH1A1SMN1; SMN2KDM4ESTK17APGK1 | |
| SCHEMBL25902572 | 0.78 | HTT (0.58) | ALDH1A1SMN1; SMN2KDM4ESTK17AMAPT | |
| SCHEMBL4021121 | 0.78 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2STK17APGK1L3MBTL1 | |
| SCHEMBL13649005 | 0.78 | CDK1 (0.56) | ALDH1A1STK17APGK1L3MBTL1CDK1 | |
| SCHEMBL13442839 | 0.78 | CDK1 (0.37) | ALDH1A1STK17APGK1L3MBTL1CDK1 | |
| SCHEMBL25323507 | 0.77 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2KDM4ESTK17APGK1 |
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-118660872-A | Pyrimidine compound, preparation method and medical application thereof | 江苏亚虹医药科技股份有限公司 | 2024-09-17 | — | — | CN | disclosed |
| CN-116496252-A | Pyrimidine compound, preparation method and medical application thereof | 江苏亚虹医药科技股份有限公司 | 2023-07-28 | — | — | CN | disclosed |