Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 5/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CXCR1 | P25024 | 3/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31484248 | 0.85 | KMT2A (0.50) | MAPTKDM4EKMT2AADRA2AADRA2C | |
| SCHEMBL31484197 | 0.83 | SLC2A1 (0.47) | ALDH1A1MAPTLRRK2KDM4EKMT2A | |
| SCHEMBL31484110 | 0.83 | MAPK10 (0.43) | ALDH1A1MAPTKDM4EKMT2ATSHR | |
| SCHEMBL31484066 | 0.81 | MAPT (0.51) | ALDH1A1MAPTCXCR2LRRK2KDM4E | |
| SCHEMBL31484130 | 0.80 | MAPT (0.56) | ALDH1A1MAPTLRRK2KDM4EEGFR | |
| SCHEMBL31484106 | 0.79 | ABCG2 (0.49) | ALDH1A1MAPTKDM4EKMT2ATSHR | |
| SCHEMBL31484148 | 0.78 | NUDT1 (0.49) | ALDH1A1MAPTKDM4EKMT2AHPGD | |
| SCHEMBL23754826 | 0.77 | ULK1 (0.46) | — | |
| SCHEMBL31484105 | 0.77 | MEN1 (0.45) | ALDH1A1MAPTKDM4EKMT2AABCG2 | |
| SCHEMBL31484092 | 0.76 | ABCB1 (0.44) | EGFRERBB2ABCG2ABCB1 |
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-119431324-A | 1- (4/5-Cyano-6-substituted pyrimidine-2-yl) -1H-pyrazole-4-formic acid compound, and preparation method and application thereof | 沈阳药科大学 | 2025-02-14 | — | — | CN | disclosed |