Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | FABP1 | P07148 | 1/20 | 0.45 |
| ▸ | FABP6 | P51161 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28470079 | 0.89 | ALDH1A1 (0.56) | KDM4EPOLBALDH1A1HPGDGAA | |
| SCHEMBL28463017 | 0.86 | L3MBTL1 (0.61) | HTR2ASLC6A4POLBALDH1A1HPGD | |
| SCHEMBL28473019 | 0.86 | MEN1 (0.53) | HTR2ASLC6A4POLBALDH1A1HPGD | |
| SCHEMBL28464078 | 0.86 | NPSR1 (0.54) | HTR2ASLC6A4ALDH1A1HPGDGAA | |
| SCHEMBL28463330 | 0.86 | POLB (0.54) | HTR2ASLC6A4KDM4EPOLBALDH1A1 | |
| SCHEMBL28463792 | 0.83 | NPC1 (0.48) | HTR2ASLC6A4ALDH1A1HPGDL3MBTL1 | |
| SCHEMBL28899353 | 0.83 | MAOA (0.58) | HTR2ASLC6A4KDM4EALDH1A1HPGD | |
| SCHEMBL28469695 | 0.82 | KDM4E (0.82) | KDM4EPOLBALDH1A1GAACXCR4 | |
| SCHEMBL28468337 | 0.78 | KDM4E (0.62) | KDM4EPOLBGAAL3MBTL1CXCR4 | |
| SCHEMBL14980562 | 0.75 | KDM4E (1.00) | KDM4EPOLBALDH1A1HPGDGAA |
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-110317200-B | Pyrimidinium compounds and uses thereof | 东莞市东阳光农药研发有限公司 | 2020-09-11 | — | — | CN | disclosed |