Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | POLQ | O75417 | 3/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | RXRA | P19793 | 2/20 | 0.35 |
| ▸ | RXRB | P28702 | 2/20 | 0.35 |
| ▸ | RXRG | P48443 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL424607 | 0.86 | POLQ (0.40) | CES2NOTUMPOLQGPR35SIGMAR1 | |
| SCHEMBL30628783 | 0.85 | CES2 (0.47) | CES2NOTUMPOLQGPR35RXRA | |
| SCHEMBL3024423 | 0.85 | CES2 (0.39) | CES2NOTUMPOLQGPR35SIGMAR1 | |
| SCHEMBL6910600 | 0.79 | KIF11 (0.42) | CES2NOTUMPOLQRXRARXRB | |
| SCHEMBL2308100 | 0.78 | CES2 (0.42) | CES2NOTUMGPR35RXRARXRB | |
| SCHEMBL29316723 | 0.77 | ESR1 (0.39) | CES2NOTUMPOLQGPR35SIGMAR1 | |
| SCHEMBL2313613 | 0.74 | KDM4E (0.45) | CES2NOTUMGPR35RXRARXRB | |
| SCHEMBL18378522 | 0.73 | CES2 (0.41) | CES2NOTUMGPR35CACNA1HMAPT | |
| SCHEMBL12439666 | 0.72 | RXRA (0.40) | CES2GPR35SIGMAR1RXRARXRB | |
| SCHEMBL6908816 | 0.72 | IDO1 (0.38) | CES2CACNA1H |
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-2011023667-A1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-03 | — | — | WO | disclosed |