Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 10/20 | 0.38 |
| ▸ | CA1 | P00915 | 9/20 | 0.38 |
| ▸ | CA9 | Q16790 | 9/20 | 0.38 |
| ▸ | CA12 | O43570 | 8/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 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) | GAAKMT2ACA2CA1CA9 | |
| SCHEMBL5821175 | 0.91 | KMT2A (0.47) | GAAKMT2ACA2CA1CA9 | |
| SCHEMBL5819681 | 0.91 | CA9 (0.43) | GAAKMT2ACA2CA1CA9 | |
| SCHEMBL5817765 | 0.90 | CA1 (0.44) | CA2CA1CA9CA12PTGS2 | |
| SCHEMBL5821439 | 0.89 | CA9 (0.44) | GAAKMT2ACA2CA1CA9 | |
| SCHEMBL5815486 | 0.88 | PTGS2 (0.39) | GAAKMT2ACA2CA1CA9 | |
| SCHEMBL5821281 | 0.87 | PTGS2 (0.38) | GAAKMT2ACA2CA1CA9 | |
| SCHEMBL5815685 | 0.86 | AOC3 (0.41) | GAAKMT2A | |
| SCHEMBL5821417 | 0.86 | ALDH1A1 (0.36) | KMT2A | |
| SCHEMBL5820968 | 0.85 | CA2 (0.38) | GAAKMT2ACA2CA1CA9 |
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 |