Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | USP1 | O94782 | 1/20 | 0.39 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27632490 | 0.80 | AKR1C3 (0.45) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL22589013 | 0.79 | CA12 (0.59) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL29613123 | 0.79 | CA1 (0.58) | CA12CA1CA2CA9TRPA1 | |
| Benzene SCHEMBL28765069 | 0.79 | CA1 (0.58) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL146177 | 0.79 | CA1 (0.58) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL8635062 | 0.78 | CA1 (0.58) | CA12CA1CA2CA9TRPA1 | |
| Hydrochloric Acid SCHEMBL28861669 | 0.77 | CA1 (0.56) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL6247727 | 0.77 | PTGS2 (0.57) | PTGS2PTGS1ALDH1A1GAAHPGD | |
| SCHEMBL1576728 | 0.77 | CA12 (0.56) | CA12CA1CA2CA9TRPA1 | |
| Phosphine SCHEMBL27891453 | 0.77 | CA1 (0.56) | CA12CA1CA2CA9TRPA1 |
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-1684944-A | method for copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | MASSACHUSETTS INST TECHNOLOGY (US) | 2005-10-19 | — | — | CN | disclosed |