Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TLR2 | O60603 | 2/20 | 0.38 |
| ▸ | TLR1 | Q15399 | 2/20 | 0.38 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL1582458 | 0.78 | NPC1 (0.39) | ALDH1A1 | |
| SCHEMBL29890962 | 0.75 | WDR5 (0.48) | ALDH1A1CYP3A4KMT2ACYP1A2CYP2C19 | |
| SCHEMBL28845844 | 0.75 | WDR5 (0.48) | ALDH1A1CYP3A4MEN1KMT2ACYP1A2 | |
| SCHEMBL28845825 | 0.75 | WDR5 (0.48) | ALDH1A1CYP3A4KMT2ACYP1A2CYP2C19 | |
| SCHEMBL6221321 | 0.75 | ALDH1A1 (0.51) | TDP1ALDH1A1HIF1AAMY1ACYP3A4 | |
| SCHEMBL4910527 | 0.74 | ALDH1A1 (0.67) | TDP1ALDH1A1HIF1AAMY1ACYP3A4 | |
| SCHEMBL2884342 | 0.71 | DPP4 (0.43) | ALDH1A1KDM4EHTT | |
| SCHEMBL27612318 | 0.71 | TDP1 (0.48) | TDP1ALDH1A1HIF1AAMY1ACYP3A4 | |
| SCHEMBL18495641 | 0.71 | CLK1 (0.60) | TDP1ALDH1A1HIF1AAMY1AMAPT | |
| SCHEMBL589324 | 0.70 | ALDH1A1 (0.62) | TDP1ALDH1A1HIF1ACYP3A4MEN1 |
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 |