Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 9/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 9/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5800538 | 0.90 | AKR1C3 (0.40) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL5800601 | 0.88 | AKR1C3 (0.44) | AKR1C3AKR1C2PTGS1PTGS2AKR1C4 | |
| SCHEMBL5800728 | 0.86 | AKR1C3 (0.37) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL5560491 | 0.84 | AKR1C3 (0.52) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL5560517 | 0.84 | AKR1C3 (0.40) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL6424427 | 0.82 | AKR1C3 (0.34) | AKR1C3AKR1C2PTGS1PTGS2ABCB11 | |
| SCHEMBL5798800 | 0.82 | AKR1C3 (0.39) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL5553972 | 0.82 | AKR1C3 (0.39) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL5797204 | 0.82 | AKR1C3 (0.38) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL5798162 | 0.81 | AKR1C3 (0.47) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 |
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 |