Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | CMA1 | P23946 | 1/20 | 0.36 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL473989 | 0.86 | ALDH1A1 (0.37) | ALDH1A1KDM4ENR1H2NR1H3CMA1 | |
| SCHEMBL473958 | 0.83 | ALDH1A1 (0.37) | ALDH1A1KDM4ENR1H2NR1H3MALT1 | |
| SCHEMBL12163813 | 0.83 | GPR55 (0.35) | ALDH1A1KDM4ENR1H2NR1H3CMA1 | |
| SCHEMBL474579 | 0.83 | GPR55 (0.35) | ALDH1A1KDM4ENR1H2NR1H3CMA1 | |
| SCHEMBL474394 | 0.78 | POLB (0.36) | ALDH1A1MALT1GPR55L3MBTL1PDE3B | |
| SCHEMBL474521 | 0.78 | TP53 (0.39) | ALDH1A1NR1H3CMA1TP53 | |
| SCHEMBL473961 | 0.78 | ALDH1A1 (0.41) | ALDH1A1CMA1THRBCYP11B2MAPT | |
| SCHEMBL474057 | 0.77 | KMO (0.36) | ALDH1A1NR1H2NR1H3CMA1THRB | |
| SCHEMBL474348 | 0.77 | GPR55 (0.39) | ALDH1A1CMA1MALT1GPR55L3MBTL1 | |
| SCHEMBL12163826 | 0.77 | GPR55 (0.39) | ALDH1A1CMA1MALT1GPR55L3MBTL1 |
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 |