Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.35 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5799040 | 0.90 | PTGS2 (0.46) | PTGS2PTGS1AKR1C3AKR1C2KDM4E | |
| SCHEMBL6025591 | 0.90 | PTGS2 (0.48) | PTGS2PTGS1AKR1C3AKR1C2ABCB11 | |
| SCHEMBL5559667 | 0.87 | PTGS2 (0.35) | PTGS2PTGS1AKR1C3AKR1C2ABCB11 | |
| SCHEMBL5553721 | 0.84 | AKR1C3 (0.44) | PTGS2PTGS1AKR1C3AKR1C2KDM4E | |
| SCHEMBL6025282 | 0.83 | PTGS1 (0.47) | PTGS2PTGS1ABCB11LMNAALOX5 | |
| SCHEMBL5800435 | 0.82 | MAOB (0.35) | PTGS2PTGS1AKR1C3AKR1C2ABCB11 | |
| SCHEMBL5558582 | 0.81 | PTGS2 (0.47) | PTGS2PTGS1AKR1C3AKR1C2LMNA | |
| SCHEMBL5554202 | 0.81 | TACR3 (0.33) | PTGS2PTGS1AKR1C3AKR1C2MAOB | |
| SCHEMBL5560264 | 0.81 | PTGS2 (0.35) | PTGS2PTGS1AKR1C3AKR1C2ABCB11 | |
| SCHEMBL5554566 | 0.80 | PTGS2 (0.49) | PTGS2PTGS1AKR1C3AKR1C2 |
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 |