Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 2/20 | 0.70 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | GFER | P55789 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.61 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.59 |
| ▸ | JAK2 | O60674 | 1/20 | 0.55 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | FLT3 | P36888 | 1/20 | 0.52 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL25894824 | 0.83 | MAPT (0.88) | ADRA2CMAPTKDM4EGAAPTK2B | |
| SCHEMBL448110 | 0.83 | ADRA2C (1.00) | ADRA2CMAPTKDM4EGAAPTK2B | |
| SCHEMBL24061151 | 0.82 | MAPKAPK2 (0.58) | ADRA2CMAPTKDM4EGAAPTK2B | |
| SCHEMBL14320480 | 0.82 | JAK2 (0.55) | MAPTALDH1A1KMT2AJAK2AOC3 | |
| Hydrochloric Acid SCHEMBL16209754 | 0.81 | ADRA2C (0.96) | ADRA2CMAPTKDM4EGAAPTK2B | |
| SCHEMBL30108226 | 0.81 | MELK (0.60) | ADRA2CMAPTKDM4EGAAPTK2B | |
| SCHEMBL3728010 | 0.80 | AOC3 (0.66) | ADRA2CMAPTKDM4EGAAPTK2B | |
| SCHEMBL31173630 | 0.80 | MAPT (0.60) | ADRA2CMAPTKDM4EGAAPTK2B | |
| SCHEMBL20475482 | 0.80 | MAPT (0.60) | ADRA2CMAPTKDM4EGAAPTK2B | |
| SCHEMBL30108214 | 0.80 | HTR1A (0.64) | ADRA2CALDH1A1MAPK1HTR3ASMN1; SMN2 |
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-109734674-B | Aniline WDR5 protein-protein interaction inhibitor and preparation method and application thereof | 中国药科大学 | 2022-08-26 | — | — | CN | disclosed |