Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL2529459 | 0.86 | CYP2D6 (0.45) | ALDH1A1CYP3A4CYP2D6SRCLMNA | |
| SCHEMBL17724521 | 0.86 | CYP2D6 (0.45) | ALDH1A1CYP3A4CYP2D6SRCLMNA | |
| Hydrochloric Acid SCHEMBL2530813 | 0.85 | CYP2D6 (0.43) | ALDH1A1CYP3A4CYP2D6SRCLMNA | |
| SCHEMBL3458611 | 0.83 | EPHX1 (0.43) | ALDH1A1CYP3A4CYP2D6SRCGAA | |
| SCHEMBL27715833 | 0.83 | PPARG (0.39) | ALDH1A1CYP3A4CYP2D6SRCGAA | |
| SCHEMBL4658943 | 0.79 | POLB (0.56) | ALDH1A1GAALMNAKMT2A | |
| SCHEMBL7797901 | 0.79 | CYP2C19 (0.38) | ALDH1A1CYP3A4CYP2D6SRCGAA | |
| SCHEMBL19312090 | 0.78 | MMP8 (0.49) | ALDH1A1GAALMNAKMT2APPARG | |
| SCHEMBL17724435 | 0.78 | MMP8 (0.49) | ALDH1A1GAALMNAKMT2APPARG | |
| SCHEMBL710330 | 0.74 | ALDH1A1 (0.53) | ALDH1A1CYP3A4GAALMNAKMT2A |
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 |