Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 10/20 | 0.43 |
| ▸ | CA1 | P00915 | 8/20 | 0.43 |
| ▸ | CA2 | P00918 | 8/20 | 0.43 |
| ▸ | CA12 | O43570 | 7/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5820968 | 0.92 | CA2 (0.38) | CA9CA1CA2CA12PTGS2 | |
| SCHEMBL5817584 | 0.91 | PTGS2 (0.39) | CA9CA1CA2CA12PTGS2 | |
| SCHEMBL5821476 | 0.87 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL5819681 | 0.84 | CA9 (0.43) | CA9CA1CA2CA12PTGS2 | |
| SCHEMBL5822322 | 0.84 | CA9 (0.43) | CA9CA1CA2CA12PTGS2 | |
| SCHEMBL5817785 | 0.83 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL5821043 | 0.79 | ESR1 (0.35) | PTGS2ALDH1A1 | |
| SCHEMBL6141903 | 0.79 | GAA (0.49) | CA9CA1CA2CA12PTGS2 | |
| SCHEMBL5815528 | 0.78 | GAA (0.38) | CA9CA1CA2CA12PTGS2 | |
| SCHEMBL5821416 | 0.78 | AOC3 (0.42) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006129181-A2 | PREPARATION OF 4-PYRIMIDONE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2006-12-07 | — | — | WO | claimed |