Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 4/20 | 0.38 |
| ▸ | NNMT | P40261 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | GLI1 | P08151 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24063060 | 0.81 | MAPT (0.44) | NNMTALDH1A1HSD17B10 | |
| SCHEMBL18181382 | 0.77 | GAA (0.36) | CYP46A1 | |
| SCHEMBL17811728 | 0.68 | CYP46A1 (0.34) | CYP46A1TSHRCYP1A2USP2ALDH1A1 | |
| SCHEMBL28524783 | 0.68 | CYP46A1 (0.33) | CYP46A1 | |
| SCHEMBL28595338 | 0.67 | NNMT (0.32) | NNMT | |
| SCHEMBL28532776 | 0.67 | AR (0.41) | NNMTTSHRCYP1A2USP2ALDH1A1 | |
| SCHEMBL6398008 | 0.66 | GAA (0.65) | GLI1 | |
| SCHEMBL10847028 | 0.65 | CYP1A2 (0.36) | TSHRCYP1A2USP2ALDH1A1HSD17B10 | |
| SCHEMBL21621283 | 0.62 | NNMT (0.36) | NNMT | |
| SCHEMBL28531600 | 0.61 | MEN1 (0.35) | — |
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-108586356-B | Ribociclib new intermediate and synthetic method for preparing Ribociclib by using same | 杭州科巢生物科技有限公司 | 2021-02-19 | — | — | CN | disclosed |