Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.69 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.69 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | PTGES | O14684 | 1/20 | 0.53 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.53 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ALB | P02768 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5559726 | 0.96 | PTGS2 (0.75) | PTGS2PTGS1ABCB1KDM4EMEN1 | |
| SCHEMBL5554315 | 0.94 | PTGS2 (0.74) | PTGS2PTGS1 | |
| SCHEMBL5801049 | 0.94 | PTGS2 (0.59) | PTGS2PTGS1 | |
| SCHEMBL5559031 | 0.91 | PTGS2 (0.66) | PTGS2PTGS1MAPTAKR1C3AKR1C2 | |
| SCHEMBL5808412 | 0.89 | PTGS2 (0.56) | PTGS2PTGS1 | |
| SCHEMBL5560499 | 0.89 | PTGS2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL5558992 | 0.89 | PTGS2 (0.64) | PTGS2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL5559957 | 0.89 | PTGS2 (0.66) | PTGS2PTGS1MAPTAKR1C3AKR1C2 | |
| SCHEMBL5554441 | 0.88 | PTGS2 (0.64) | PTGS2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL6426811 | 0.88 | PTGS2 (0.64) | PTGS2PTGS1 |
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-2006050120-A2 | SYNTHESIS OF COX-2 AND FAAH INHIBITORS | MICROBIA, INC. (US) | 2006-05-11 | — | — | WO | disclosed |