Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | PREP | P48147 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23377566 | 0.81 | CHRM2 (0.47) | CHRM2CHRM1CHRM3NR1H2HSD17B10 | |
| SCHEMBL6418166 | 0.80 | NR1H2 (0.43) | CHRM2CHRM1CHRM3NR1H2HSD17B10 | |
| SCHEMBL30986117 | 0.76 | CHRM2 (0.42) | CHRM2CHRM1CHRM3NR1H2HSD17B10 | |
| SCHEMBL30670436 | 0.76 | CHRM2 (0.42) | CHRM2CHRM1CHRM3NR1H2HSD17B10 | |
| SCHEMBL23633778 | 0.76 | NR1H2 (0.40) | CHRM2CHRM1CHRM3NR1H2HSD17B10 | |
| SCHEMBL27029767 | 0.76 | CHRM2 (0.42) | CHRM2CHRM1CHRM3NR1H2HSD17B10 | |
| SCHEMBL31607100 | 0.74 | HSD17B10 (0.39) | CHRM2CHRM1CHRM3NR1H2HSD17B10 | |
| SCHEMBL25253463 | 0.74 | HSD17B10 (0.39) | CHRM2CHRM1CHRM3NR1H2HSD17B10 | |
| SCHEMBL22412830 | 0.74 | HSD17B10 (0.39) | CHRM2CHRM1CHRM3NR1H2HSD17B10 | |
| SCHEMBL30616573 | 0.74 | HSD17B10 (0.39) | CHRM2CHRM1CHRM3NR1H2HSD17B10 |
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-2012031024-A1 | BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |