Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.71 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3250460 | 1.00 | TDP1 (0.71) | TDP1HRH3PDK1ALDH1A1TP53 | |
| SCHEMBL2700735 | 0.91 | TDP1 (0.65) | TDP1HRH3PDK1ALDH1A1TSHR | |
| SCHEMBL28647839 | 0.84 | TDP1 (0.61) | TDP1HRH3PDK1ALDH1A1TP53 | |
| SCHEMBL31220 | 0.83 | TDP1 (1.00) | TDP1HRH3PDK1ALDH1A1TP53 | |
| SCHEMBL17028904 | 0.83 | TDP1 (1.00) | TDP1HRH3PDK1ALDH1A1TP53 | |
| SCHEMBL1583161 | 0.83 | TDP1 (1.00) | TDP1HRH3PDK1ALDH1A1TP53 | |
| SCHEMBL1582872 | 0.83 | TDP1 (1.00) | TDP1HRH3PDK1ALDH1A1TP53 | |
| Oxirane SCHEMBL1004512 | 0.82 | TDP1 (0.89) | TDP1HRH3PDK1ALDH1A1TP53 | |
| Oxirane SCHEMBL15602787 | 0.82 | TDP1 (0.89) | TDP1HRH3PDK1ALDH1A1TP53 | |
| SCHEMBL3822144 | 0.82 | TDP1 (0.73) | TDP1HRH3PDK1ALDH1A1TP53 |
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-108884029-B | LSD1 inhibitors | 米拉蒂医疗股份有限公司 | 2021-10-26 | — | — | CN | disclosed |