Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 5/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | LATS1 | O95835 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.38 |
| ▸ | MELK | Q14680 | 1/20 | 0.38 |
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 | 0.89 | WDR5 (0.49) | WDR5HRH4ROCK2ROCK1CYP1A2 | |
| SCHEMBL28845830 | 0.84 | KMT2A (0.49) | WDR5HRH4CYP1A2CYP2C19HDAC2 | |
| SCHEMBL28953596 | 0.80 | CYP1A2 (0.49) | HRH4CYP1A2CYP2C19DHFRFYN | |
| SCHEMBL28845844 | 0.77 | WDR5 (0.48) | WDR5HRH4CYP1A2CYP2C19KMT2A | |
| SCHEMBL11004346 | 0.69 | LMNA (0.40) | KMT2A | |
| SCHEMBL28953598 | 0.68 | HRH4 (0.42) | HRH4DHFRFYN | |
| SCHEMBL16039371 | 0.65 | ADRA2C (0.58) | HRH4LATS1 | |
| SCHEMBL15770645 | 0.65 | MAPT (0.63) | HRH4LATS1 | |
| SCHEMBL29757649 | 0.65 | HRH4 (0.56) | HRH4CYP1A2KMT2A | |
| SCHEMBL28337260 | 0.64 | MELK (0.69) | HRH4KMT2AMELK |
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 2 patents. 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 |
| CN-109734674-A | Phenyl amines WDR5 protein-protein interaction inhibitor and its preparation method and purposes | 中国药科大学 | 2019-05-10 | — | — | CN | disclosed |