Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 6/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PTPN5 | P54829 | 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 | |
|---|---|---|---|---|
| SCHEMBL5608722 | 0.83 | IDO1 (0.43) | CES2GSK3BPDE2AIDO1TDO2 | |
| SCHEMBL6448282 | 0.81 | PDE2A (0.36) | CES2GSK3BPDE2AKIF11MAPT | |
| SCHEMBL3248499 | 0.81 | PDE2A (0.42) | GSK3BPDE2AALDH1A1 | |
| SCHEMBL2954138 | 0.80 | CES2 (0.46) | CES2GSK3BPDE2AKIF11IDO1 | |
| SCHEMBL4963648 | 0.79 | PDE2A (0.51) | GSK3BPDE2AIDO1TDO2 | |
| SCHEMBL20551557 | 0.79 | PDE2A (0.51) | GSK3BPDE2AIDO1TDO2 | |
| SCHEMBL27643644 | 0.79 | CES2 (0.40) | CES2GSK3BPDE2ACYP26A1CYP24A1 | |
| SCHEMBL22717245 | 0.77 | P2RX7 (0.47) | CES2GSK3BPDE2AKIF11IDO1 | |
| SCHEMBL17698505 | 0.77 | P2RX7 (0.47) | CES2GSK3BPDE2AKIF11IDO1 | |
| SCHEMBL21495118 | 0.77 | ACP3 (0.44) | IDO1TDO2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1583742-A1 | NOVEL CB 1 RECEPTOUR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004060870-A1 | NOVEL CB 1 RECEPTOUR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-22 | — | — | WO | disclosed |