Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TK1 | P04183 | 1/20 | 0.47 |
| ▸ | SQOR | Q9Y6N5 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TK2 | O00142 | 2/20 | 0.40 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7613833 | 0.84 | SQOR (0.52) | TK1SQORCYP2C19CYP1A2GAA | |
| SCHEMBL8913283 | 0.84 | SQOR (0.52) | TK1SQORCYP2C19CYP1A2GAA | |
| SCHEMBL2215259 | 0.71 | CYP1A2 (0.60) | TK1CYP2C19CYP1A2GAAMEN1 | |
| SCHEMBL6163136 | 0.70 | PNP (0.47) | TK1GAAMEN1KMT2ALMNA | |
| SCHEMBL15646441 | 0.68 | EP300 (0.45) | KMT2ASMN1; SMN2 | |
| SCHEMBL17013801 | 0.68 | TK1 (0.61) | TK1SQORCYP2C19CYP1A2GAA | |
| SCHEMBL17013803 | 0.68 | TK1 (0.61) | TK1SQORCYP2C19CYP1A2GAA | |
| SCHEMBL11400022 | 0.68 | LMNA (0.61) | TK1SQORCYP2C19CYP1A2GAA | |
| SCHEMBL13724687 | 0.67 | MAPK1 (0.43) | TK1KMT2ALMNA | |
| SCHEMBL18960980 | 0.66 | DGKA (0.47) | KMT2ALMNASMN1; SMN2MAPT |
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-108299313-A | Compound and application thereof in pharmacy | 中南大学湘雅医院 | 2018-07-20 | — | — | CN | disclosed |