Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | CMA1 | P23946 | 5/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL474521 | 0.86 | TP53 (0.39) | ALDH1A1SMN1; SMN2GLAMAPK14CMA1 | |
| SCHEMBL474976 | 0.82 | PTGDR2 (0.39) | ALDH1A1SMN1; SMN2GLAPTGS2MAPK14 | |
| SCHEMBL474483 | 0.81 | SMN1; SMN2 (0.35) | ALDH1A1SMN1; SMN2GLAPTGS2MAPK14 | |
| SCHEMBL474633 | 0.77 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2GLAMAPK14CMA1 | |
| SCHEMBL474936 | 0.76 | ADORA2A (0.42) | SMN1; SMN2PTGDR2 | |
| SCHEMBL474933 | 0.76 | PPARG (0.39) | ALDH1A1SMN1; SMN2PTGDR2PDCD1CD274 | |
| SCHEMBL12164010 | 0.76 | PTGS2 (0.37) | ALDH1A1PTGS2CMA1PTGDR2GRM2 | |
| SCHEMBL474492 | 0.76 | PTGS2 (0.37) | ALDH1A1PTGS2CMA1PTGDR2GRM2 | |
| SCHEMBL473961 | 0.73 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2CMA1 | |
| SCHEMBL474606 | 0.72 | RXRA (0.40) | ALDH1A1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2411365-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |