Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 3/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28986310 | 1.00 | NNMT (0.41) | NNMTALDH1A1KDM4EPOLBCDC7 | |
| SCHEMBL2600058 | 0.76 | NNMT (0.38) | NNMTKDM4EGRM5ASIC3 | |
| SCHEMBL13355386 | 0.76 | NNMT (0.38) | NNMTGRM5ASIC3ADORA2A | |
| SCHEMBL28174101 | 0.73 | ALDH1A1 (0.34) | ALDH1A1KDM4EPOLBCDC7KDR | |
| SCHEMBL30555488 | 0.73 | ALDH1A1 (0.34) | ALDH1A1KDM4EPOLBHSP90AA1HRH4 | |
| SCHEMBL23186733 | 0.72 | NNMT (0.35) | NNMTGRM5ASIC3 | |
| SCHEMBL4796533 | 0.72 | EHMT2 (0.36) | NNMTALDH1A1HSP90AA1GRM5ASIC3 | |
| SCHEMBL17541302 | 0.72 | ITGAV (0.35) | NNMTGRM5ASIC3 | |
| SCHEMBL30648742 | 0.69 | HTR2C (0.55) | ALDH1A1KDM4EPOLBHSP90AA1 | |
| SCHEMBL12497623 | 0.69 | HTR2C (0.55) | ALDH1A1KDM4EPOLBHSP90AA1 |
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-109810110-B | Compound with 2-aminopyrimidine structure, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-01-24 | — | — | CN | disclosed |