Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15940564 | 0.79 | PARP1 (0.34) | PARP1CA1CA2 | |
| SCHEMBL2151230 | 0.79 | PARP1 (0.34) | PARP1CA1CA2 | |
| SCHEMBL9861975 | 0.79 | PARP1 (0.34) | PARP1CA1CA2 | |
| SCHEMBL5133900 | 0.79 | PARP1 (0.34) | PARP1CA1CA2MAOB | |
| SCHEMBL2288761 | 0.77 | PARP1 (0.39) | PARP1CA1CA2MAOBGAA | |
| SCHEMBL29223962 | 0.76 | CA1 (0.33) | PARP1CA1CA2 | |
| SCHEMBL30274390 | 0.76 | CA1 (0.33) | PARP1CA1CA2 | |
| SCHEMBL5290390 | 0.75 | PARP1 (0.34) | PARP1CA1CA2 | |
| SCHEMBL27938830 | 0.75 | CA1 (0.32) | PARP1CA1CA2MAOB | |
| SCHEMBL258234 | 0.74 | PARP1 (0.36) | PARP1CA1CA2MAOBGAA |
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-108912152-A | β -dicarbonyl boron fluoride compound and preparation method and application thereof | 中国科学院理化技术研究所 | 2018-11-30 | — | — | CN | disclosed |