Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 3/20 | 0.31 |
| ▸ | CNR2 | P34972 | 2/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5820891 | 0.97 | ALDH1A1 (0.41) | ESR1ALDH1A1PTGS2PTGS1GAA | |
| SCHEMBL5815453 | 0.95 | GRIA1 (0.36) | ESR1ALDH1A1PTGS2PTGS1 | |
| SCHEMBL5815689 | 0.95 | GRIA1 (0.36) | ESR1ALDH1A1PTGS2PTGS1 | |
| SCHEMBL5819683 | 0.93 | HCAR1 (0.34) | ESR1ALDH1A1PTGS2PTGS1KDM4E | |
| SCHEMBL5820973 | 0.93 | ALDH1A1 (0.43) | ALDH1A1KDM4ECNR1CNR2 | |
| SCHEMBL5820972 | 0.86 | PTK2 (0.35) | ALDH1A1PTGS2MAPTSMN1; SMN2 | |
| SCHEMBL5821417 | 0.84 | ALDH1A1 (0.36) | ESR1ALDH1A1MAPT | |
| SCHEMBL5815685 | 0.84 | AOC3 (0.41) | ALDH1A1GAAMAPTCNR1CNR2 | |
| SCHEMBL5819681 | 0.83 | CA9 (0.43) | ALDH1A1PTGS2PTGS1GAA | |
| SCHEMBL5822322 | 0.83 | CA9 (0.43) | ALDH1A1PTGS2PTGS1GAA |
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 |