Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARG | Q86W56 | 4/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ICMT | O60725 | 2/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10146345 | 0.93 | PARG (0.42) | PARGGRM2NPC1ALDH1A1RAB9A | |
| SCHEMBL625527 | 0.90 | GRM2 (0.51) | PARGGRM2NPC1RAB9AICMT | |
| SCHEMBL10146338 | 0.88 | GRIN1 (0.48) | PARGGRM2ICMTTRIM24GRIN1 | |
| SCHEMBL10146006 | 0.87 | PARG (0.40) | PARGGRM2ICMTTRIM24BACE1 | |
| SCHEMBL10146348 | 0.87 | GRM2 (0.43) | PARGGRM2NPC1ALDH1A1RAB9A | |
| SCHEMBL10145997 | 0.87 | PARG (0.42) | PARGGRM2ICMTTRIM24GRIN1 | |
| SCHEMBL626976 | 0.85 | PARG (0.41) | PARGGRM2TRIM24 | |
| SCHEMBL624925 | 0.84 | GRM2 (0.46) | PARGGRM2NPC1RAB9AICMT | |
| SCHEMBL626276 | 0.84 | PARG (0.41) | PARGGRM2TRIM24 | |
| SCHEMBL10146010 | 0.84 | PARG (0.39) | PARGGRM2ICMTTRIM24BACE1 |
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-2012021382-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2012-02-16 | — | — | WO | disclosed |