Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | GABRP | O00591 | 2/20 | 0.34 |
| ▸ | GABRD | O14764 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.34 |
| ▸ | GABRE | P78334 | 2/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.34 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.34 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.34 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5821476 | 0.90 | ALDH1A1 (0.43) | ESR1ALDH1A1NPC1GAA | |
| SCHEMBL5821043 | 0.88 | ESR1 (0.35) | PTGS2GRM5ESR1ALDH1A1GAA | |
| SCHEMBL5817545 | 0.86 | TDP1 (0.36) | ESR1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL5818149 | 0.85 | ESR1 (0.34) | ESR1ALDH1A1NPC1GAA | |
| SCHEMBL5819669 | 0.82 | PTGS2 (0.39) | PTGS2PTGS1GRM5GABRPGABRD | |
| SCHEMBL5817609 | 0.81 | MAPK13 (0.39) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL5821095 | 0.77 | CA9 (0.43) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL4861654 | 0.77 | PTGS2 (0.42) | PTGS2PTGS1GABRPGABRDGABRA1 | |
| SCHEMBL5821767 | 0.76 | ESR1 (0.36) | PTGS2PTGS1ESR1ALDH1A1GAA | |
| SCHEMBL5820968 | 0.75 | CA2 (0.38) | PTGS2PTGS1GRM5GAA |
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 |