Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 11/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6929985 | 0.85 | CXCR2 (0.46) | CXCR2CHRNB2CHRNA7CHRNA4GABRA5 | |
| SCHEMBL6929953 | 0.82 | GABRA5 (0.55) | CXCR2CHRNB2CHRNA7CHRNA4GABRA5 | |
| SCHEMBL6930956 | 0.80 | CXCR2 (0.51) | CXCR2CHRNB2CHRNA7CHRNA4GABRA5 | |
| SCHEMBL6930968 | 0.79 | EPHX2 (0.53) | CXCR2CHRNB2CHRNA7CHRNA4GABRA5 | |
| SCHEMBL6931414 | 0.78 | CHRNB2 (0.49) | CXCR2CHRNB2CHRNA7CHRNA4GABRA5 | |
| SCHEMBL6930269 | 0.77 | GABRA5 (0.66) | GABRA5 | |
| SCHEMBL6930892 | 0.76 | GABRA5 (0.64) | GABRA5 | |
| SCHEMBL6930206 | 0.76 | GABRA5 (0.64) | CXCR2GABRA5 | |
| SCHEMBL6929807 | 0.75 | GABRA5 (0.64) | GABRA5 | |
| SCHEMBL6927995 | 0.75 | GABRA5 (0.47) | CXCR2CHRNB2CHRNA7CHRNA4GABRA5 |
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-2011035324-A1 | O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS | VANDERBILT UNIVERSITY (US) | 2011-03-24 | — | — | WO | disclosed |