Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 3/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 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 | |
|---|---|---|---|---|
| SCHEMBL474455 | 0.92 | ALDH1A1 (0.34) | ALDH1A1MALT1HTR1AHTR1DHTR1B | |
| SCHEMBL474394 | 0.88 | POLB (0.36) | SMN1; SMN2POLBEGFRPTGS2MAPK14 | |
| SCHEMBL474658 | 0.86 | SMN1; SMN2 (0.36) | SMN1; SMN2POLBEGFRPTGS2MAPK14 | |
| SCHEMBL474476 | 0.85 | MAPK14 (0.35) | SMN1; SMN2POLBEGFRPTGS2MAPK14 | |
| SCHEMBL473939 | 0.80 | BDKRB1 (0.41) | — | |
| SCHEMBL473958 | 0.80 | ALDH1A1 (0.37) | POLBKDM4EALDH1A1MALT1 | |
| SCHEMBL474400 | 0.78 | BDKRB1 (0.33) | PDK2MALT1 | |
| SCHEMBL12163873 | 0.78 | BDKRB1 (0.33) | PDK2MALT1 | |
| SCHEMBL474375 | 0.78 | ALDH1A1 (0.37) | ALDH1A1HTR1AHTR1DHTR1B | |
| SCHEMBL474431 | 0.76 | TRPV1 (0.41) | POLBCASP3KDM4EALDH1A1KMT2A |
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 |