Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | HTR3A | P46098 | 2/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.53 |
| ▸ | WDR5 | P61964 | 6/20 | 0.52 |
| ▸ | NCF1 | P14598 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
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 | 0.82 | WDR5 (0.48) | ALDH1A1LMNAGAAHRH4WDR5 | |
| SCHEMBL282589 | 0.79 | ALDH1A1 (0.62) | ALDH1A1LMNAGAAWDR5KMT2A | |
| SCHEMBL28845797 | 0.76 | KMT2A (0.52) | ALDH1A1LMNAGAAHRH4WDR5 | |
| SCHEMBL28845821 | 0.76 | MEN1 (0.49) | ALDH1A1LMNAGAAKMT2APOLB | |
| SCHEMBL28845817 | 0.75 | WDR5 (0.52) | ALDH1A1LMNAGAAHRH4WDR5 | |
| SCHEMBL14529703 | 0.75 | NPC1 (0.46) | ALDH1A1LMNAGAAKMT2APOLB | |
| SCHEMBL1969337 | 0.74 | SIRT6 (0.58) | ALDH1A1LMNAGAAWDR5KMT2A | |
| SCHEMBL31399892 | 0.71 | EIF4A1 (0.51) | KMT2APOLBABCG2ACHECYP1A2 | |
| SCHEMBL15521695 | 0.71 | APP (0.57) | ALDH1A1LMNAGAAHTR3AHRH4 | |
| SCHEMBL10867553 | 0.71 | ALDH1A1 (0.53) | ALDH1A1LMNAGAAWDR5KMT2A |
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 |