Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.71 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.55 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.52 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6928789 | 0.88 | GRM5 (0.82) | GRM5CXCR2CXCR1GABRA1GABRA5 | |
| SCHEMBL6929952 | 0.85 | GRM5 (0.81) | GRM5CXCR2CXCR1GABRA1GABRA5 | |
| SCHEMBL6930047 | 0.84 | GRM5 (0.76) | GRM5CXCR2CXCR1GABRA5MAOB | |
| SCHEMBL3505676 | 0.83 | GRM5 (0.63) | GRM5CXCR2CXCR1GABRA5MAOB | |
| SCHEMBL6928852 | 0.83 | GRM5 (1.00) | GRM5CXCR2CXCR1GABRA5 | |
| SCHEMBL3505132 | 0.83 | GRM5 (0.74) | GRM5CXCR2CXCR1GABRA5MAOB | |
| SCHEMBL12398869 | 0.83 | GRM5 (1.00) | GRM5CXCR2CXCR1GABRA5 | |
| SCHEMBL12398879 | 0.83 | GRM5 (1.00) | GRM5CXCR2CXCR1GABRA5 | |
| SCHEMBL2158904 | 0.83 | GRM5 (0.68) | GRM5CXCR2CXCR1GABRA5MAOB | |
| SCHEMBL3505129 | 0.83 | GRM5 (0.74) | GRM5CXCR2CXCR1GABRA5MAOB |
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 |