Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.39 |
| ▸ | CA12 | O43570 | 8/20 | 0.36 |
| ▸ | CA1 | P00915 | 8/20 | 0.36 |
| ▸ | CA2 | P00918 | 8/20 | 0.36 |
| ▸ | CA9 | Q16790 | 8/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL5822322 | 0.91 | CA9 (0.43) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL5819681 | 0.91 | CA9 (0.43) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL5817765 | 0.89 | CA1 (0.44) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL5821175 | 0.89 | KMT2A (0.47) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL5815528 | 0.88 | GAA (0.38) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL5821281 | 0.86 | PTGS2 (0.38) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL5817584 | 0.85 | PTGS2 (0.39) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL5821439 | 0.83 | CA9 (0.44) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL5821767 | 0.80 | ESR1 (0.36) | PTGS2GAAPTGS1ALDH1A1 | |
| SCHEMBL5820891 | 0.78 | ALDH1A1 (0.41) | PTGS2GAAPTGS1DHFRALDH1A1 |
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 | disclosed |