Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL5554440 | 0.89 | PTGS2 (0.32) | AKR1C3AKR1C2PTGS2MEN1KMT2A | |
| SCHEMBL5555472 | 0.85 | AKR1C3 (0.39) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL5808517 | 0.82 | AKR1C3 (0.35) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL5560065 | 0.82 | PTGS2 (0.31) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL5554232 | 0.81 | AKR1C3 (0.52) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL5554427 | 0.78 | MEN1 (0.32) | PTGS2MEN1AKR1B1KMT2A | |
| SCHEMBL5560536 | 0.77 | KMT2A (0.36) | AKR1C3AKR1C2PTGS1PTGS2MEN1 | |
| SCHEMBL5554153 | 0.76 | AKR1C3 (0.53) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL5821854 | 0.76 | PTGS2 (0.30) | PTGS2 | |
| SCHEMBL5553743 | 0.76 | AKR1C3 (0.35) | 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 |