Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.33 |
| ▸ | CCKBR | P32239 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | RBP4 | P02753 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL474375 | 0.92 | ALDH1A1 (0.37) | CCKBRALDH1A1HSD17B10PDCD1CD274 | |
| SCHEMBL474476 | 0.86 | MAPK14 (0.35) | SMN1; SMN2POLBEGFRMAPK14PTGS2 | |
| SCHEMBL474611 | 0.86 | SMN1; SMN2 (0.35) | SMN1; SMN2POLBEGFRMAPK14PTGS2 | |
| SCHEMBL474394 | 0.85 | POLB (0.36) | SMN1; SMN2POLBEGFRMAPK14PTGS2 | |
| SCHEMBL474520 | 0.79 | BDKRB1 (0.41) | — | |
| SCHEMBL474455 | 0.77 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL474451 | 0.77 | MALT1 (0.34) | PDK2ALDH1A1HSD17B10 | |
| SCHEMBL12163891 | 0.77 | MALT1 (0.34) | PDK2ALDH1A1HSD17B10 | |
| SCHEMBL473958 | 0.76 | ALDH1A1 (0.37) | POLBALDH1A1 | |
| SCHEMBL15520716 | 0.74 | MALT1 (0.34) | — |
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 |