Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.52 |
| ▸ | WDR5 | P61964 | 5/20 | 0.52 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28845844 | 0.81 | WDR5 (0.48) | KMT2AWDR5HRH4ALDH1A1LMNA | |
| SCHEMBL28845817 | 0.81 | WDR5 (0.52) | KMT2AWDR5HRH4ALDH1A1LMNA | |
| SCHEMBL29890986 | 0.76 | ALDH1A1 (0.54) | KMT2AWDR5HRH4ALDH1A1LMNA | |
| SCHEMBL1969337 | 0.75 | SIRT6 (0.58) | KMT2AWDR5ALDH1A1LMNAGAA | |
| SCHEMBL27612796 | 0.74 | TDP1 (0.62) | KMT2AALDH1A1LMNAGAAMEN1 | |
| SCHEMBL26092046 | 0.74 | ALDH1A1 (0.49) | KMT2AWDR5ALDH1A1LMNAGAA | |
| SCHEMBL30346122 | 0.74 | ALDH1A1 (0.49) | KMT2AWDR5ALDH1A1LMNAGAA | |
| SCHEMBL282589 | 0.73 | ALDH1A1 (0.62) | KMT2AWDR5ALDH1A1LMNAGAA | |
| SCHEMBL28324074 | 0.73 | DHFR (0.65) | HRH4 | |
| SCHEMBL1647478 | 0.73 | HTT (0.48) | KMT2AWDR5ALDH1A1LMNAGAA |
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 |