Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | WNT1 | P04628 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28291860 | 0.89 | WDR5 (0.47) | WDR5KMT2ADHFRFYNROCK2 | |
| SCHEMBL28845830 | 0.84 | KMT2A (0.49) | WDR5KMT2AALDH1A1HRH4HSD17B10 | |
| SCHEMBL28953596 | 0.80 | CYP1A2 (0.49) | KMT2ADHFRFYNALDH1A1HRH4 | |
| SCHEMBL28845844 | 0.77 | WDR5 (0.48) | WDR5KMT2AALDH1A1HRH4POLB | |
| SCHEMBL29914169 | 0.70 | LMNA (0.37) | KMT2ADHFRPOLBKDM4ECYP1A2 | |
| SCHEMBL28953598 | 0.68 | HRH4 (0.42) | DHFRFYNALDH1A1HRH4L3MBTL1 | |
| SCHEMBL6308994 | 0.68 | HTR1A (0.54) | WDR5KMT2ADHFRWNT1ALDH1A1 | |
| SCHEMBL24166971 | 0.66 | WDR5 (1.00) | WDR5KMT2A | |
| SCHEMBL29544952 | 0.66 | WDR5 (1.00) | WDR5KMT2A | |
| SCHEMBL29757649 | 0.65 | HRH4 (0.56) | KMT2AALDH1A1HRH4HSD17B10CYP1A2 |
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 |