Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5800295 | 0.98 | TSHR (0.36) | PTGS2TSHRHSD11B1CYP19A1ALDH1A1 | |
| SCHEMBL5819680 | 0.94 | PTGS2 (0.37) | PTGS2TSHRCYP19A1AKR1C3AKR1C2 | |
| SCHEMBL5822674 | 0.92 | PTGS2 (0.36) | PTGS2TSHRCYP19A1AKR1C3AKR1C2 | |
| SCHEMBL5798701 | 0.90 | PTGS2 (0.45) | PTGS2CYP19A1AKR1C3AKR1C2 | |
| SCHEMBL5559153 | 0.90 | TSHR (0.36) | PTGS2TSHRHSD11B1CYP19A1ALDH1A1 | |
| SCHEMBL5560260 | 0.90 | PTGS2 (0.37) | PTGS2HSD11B1CYP19A1ALDH1A1HPGD | |
| SCHEMBL5800993 | 0.89 | PTGS2 (0.37) | PTGS2HSD11B1CYP19A1ALDH1A1SLC6A3 | |
| SCHEMBL5559333 | 0.89 | PTGS2 (0.43) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL5558388 | 0.88 | PTGS2 (0.35) | PTGS2HSD11B1CYP19A1ALDH1A1KMT2A | |
| SCHEMBL5819926 | 0.87 | L3MBTL1 (0.37) | PTGS2TSHRHSD11B1ALDH1A1SLC6A3 |
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 |