Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.32 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.31 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.31 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.31 |
| ▸ | HPSE | Q9Y251 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL474658 | 0.92 | SMN1; SMN2 (0.36) | ALDH1A1PDCD1CD274HSD17B10CCKBR | |
| SCHEMBL474455 | 0.85 | ALDH1A1 (0.34) | ALDH1A1AKR1C3AKR1C2LMNATTR | |
| SCHEMBL473958 | 0.84 | ALDH1A1 (0.37) | ALDH1A1LMNARIPK1NR1H2NR1H3 | |
| SCHEMBL474611 | 0.78 | SMN1; SMN2 (0.35) | ALDH1A1HTR1AHTR1DHTR1B | |
| SCHEMBL474476 | 0.78 | MAPK14 (0.35) | — | |
| SCHEMBL12163900 | 0.77 | RORC (0.35) | CMA1 | |
| SCHEMBL474394 | 0.76 | POLB (0.36) | ALDH1A1HSD17B10 | |
| SCHEMBL474404 | 0.76 | MALT1 (0.34) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| SCHEMBL15520787 | 0.74 | MALT1 (0.33) | HTR1AHTR1DHTR1B | |
| SCHEMBL474520 | 0.74 | BDKRB1 (0.41) | — |
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 |