Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | POLQ | O75417 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 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 | |
|---|---|---|---|---|
| SCHEMBL30628783 | 0.88 | CES2 (0.47) | KIF11CES2NOTUMMAPTMEN1 | |
| SCHEMBL423246 | 0.83 | CES2 (0.43) | CES2APPRXRARXRBRXRG | |
| SCHEMBL30532294 | 0.83 | CES2 (0.43) | CES2APPRXRARXRBRXRG | |
| SCHEMBL15901970 | 0.81 | CES2 (0.42) | KIF11CES2NOTUMAPPMAPT | |
| SCHEMBL26981507 | 0.80 | ALDH1A1 (0.42) | KIF11CES2APPMAPTGAA | |
| SCHEMBL6909178 | 0.79 | CES2 (0.40) | KIF11CES2NOTUMMAPTPOLQ | |
| SCHEMBL18378522 | 0.76 | CES2 (0.41) | CES2NOTUMMAPT | |
| SCHEMBL6908816 | 0.75 | IDO1 (0.38) | CES2 | |
| SCHEMBL23364827 | 0.74 | CES2 (0.46) | CES2NOTUMMAPTMEN1KMT2A | |
| SCHEMBL16398808 | 0.74 | CES2 (0.46) | CES2APPMAPTTLR7RXRA |
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 |