Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | MAPT | P10636 | 4/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3175637 | 1.00 | GAA (0.64) | GAAALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL1928415 | 0.98 | ALDH1A1 (0.64) | GAAALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL28507271 | 0.88 | ALDH1A1 (0.59) | GAAALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL28531881 | 0.87 | MAPT (0.61) | GAAALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL2062270 | 0.87 | ALDH1A1 (0.64) | GAAALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL29556577 | 0.87 | ALDH1A1 (0.64) | GAAALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL31267415 | 0.86 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2LMNAMAPTMAPK1 | |
| SCHEMBL2062084 | 0.86 | SLC6A5 (0.64) | ALDH1A1SMN1; SMN2LMNAMAPTMAPK1 | |
| SCHEMBL15725834 | 0.86 | ALDH1A1 (0.64) | GAAALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL6606828 | 0.86 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2LMNAMAPTMAPK1 |
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-115772113-A | Preparation method of Gilitinib intermediate, gilitinib intermediate prepared by preparation method and application of Gilitinib intermediate | 上海厚博生物科技有限公司 | 2023-03-10 | — | — | CN | disclosed |