Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | WDR5 | P61964 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28845808 | 0.84 | WDR5 (0.49) | KMT2AWDR5HRH4CYP1A2CYP2D6 | |
| SCHEMBL28291860 | 0.84 | WDR5 (0.47) | KMT2AWDR5HRH4HDAC2CYP1A2 | |
| SCHEMBL28953596 | 0.78 | CYP1A2 (0.49) | KMT2AHRH4HRH3CYP1A2CYP2D6 | |
| SCHEMBL28845844 | 0.74 | WDR5 (0.48) | KMT2AWDR5HRH4CYP1A2CYP2D6 | |
| SCHEMBL4620360 | 0.73 | FYN (0.69) | KMT2AHRH4HRH1HRH3HDAC3 | |
| SCHEMBL24166935 | 0.66 | WDR5 (1.00) | KMT2AWDR5 | |
| SCHEMBL29545139 | 0.66 | WDR5 (1.00) | KMT2AWDR5 | |
| SCHEMBL1030754 | 0.66 | HRH4 (1.00) | KMT2AHRH4HRH1HRH3CYP1A2 | |
| SCHEMBL28953598 | 0.66 | HRH4 (0.42) | HRH4ALDH1A1DRD2 | |
| SCHEMBL20181651 | 0.65 | HDAC2 (1.00) | HDAC3HDAC2 |
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 |