Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 4/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28112641 | 0.82 | MAPT (0.37) | ATRPTGDR2 | |
| SCHEMBL28216106 | 0.81 | PI4KB (0.41) | LCKATRNLRP3PTGDR2CA12 | |
| SCHEMBL28107347 | 0.79 | ATR (0.37) | LCKATRNLRP3PTGDR2CA12 | |
| SCHEMBL22941226 | 0.77 | NLRP3 (0.50) | LCKATRNLRP3 | |
| SCHEMBL15390593 | 0.73 | NQO2 (0.45) | LCKATRNLRP3CA12CA1 | |
| SCHEMBL28860053 | 0.73 | ATR (0.39) | ATRPTGDR2MTNR1AMTNR1BCYP17A1 | |
| SCHEMBL28288926 | 0.72 | ATR (0.32) | LCKATRPTGDR2 | |
| SCHEMBL509795 | 0.71 | CA12 (0.52) | PTGDR2CA12CA1CA9PPARG | |
| SCHEMBL24574915 | 0.71 | LCK (0.60) | LCKATRNLRP3 | |
| SCHEMBL2895708 | 0.70 | CYP1A2 (0.46) | NLRP3CA12CA1CA9 |
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-108026026-A | Beta-amino acids and analog and its application as the β-substituted of chemotherapeutics | 夸德里加生物科学公司 | 2018-05-11 | — | — | CN | disclosed |