Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1458050 | 0.86 | CYP2C19 (1.00) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL5371218 | 0.86 | CYP2C19 (0.79) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL1458057 | 0.86 | CYP2C19 (1.00) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL666893 | 0.86 | CYP2C19 (1.00) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL1457969 | 0.85 | CYP2C19 (0.96) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL1458161 | 0.85 | CYP2C19 (0.96) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL10959538 | 0.85 | CYP2C19 (0.96) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL8252373 | 0.83 | CYP2C19 (0.73) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL6631805 | 0.83 | CYP2C19 (0.73) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL6423644 | 0.83 | CYP2C19 (0.73) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 |
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-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |