Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | UTS2R | Q9UKP6 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28476592 | 0.76 | ALDH1A1 (0.86) | ALDH1A1CYP3A4GAALMNATP53 | |
| SCHEMBL28466269 | 0.72 | HPGDS (0.72) | ALDH1A1CYP3A4GAALMNAKMT2A | |
| SCHEMBL2008486 | 0.70 | SLC6A9 (0.82) | ALDH1A1CYP3A4GAAKMT2AMEN1 | |
| SCHEMBL6678578 | 0.70 | MAPT (0.42) | ALDH1A1CYP3A4GAALMNAKMT2A | |
| SCHEMBL6689991 | 0.69 | MAPT (0.41) | ALDH1A1CYP3A4GAALMNAKMT2A | |
| SCHEMBL3107205 | 0.69 | HPGDS (0.67) | ALDH1A1CYP3A4GAALMNAKMT2A | |
| SCHEMBL30530178 | 0.68 | SLC6A9 (0.71) | ALDH1A1CYP3A4GAALMNAUTS2R | |
| SCHEMBL6691606 | 0.68 | HSD17B2 (0.41) | ALDH1A1CYP3A4GAALMNAKMT2A | |
| SCHEMBL13498069 | 0.67 | LMNA (1.00) | LMNATP53KMT2AMEN1HSP90AA1 | |
| SCHEMBL28466273 | 0.67 | SLC6A9 (0.68) | GAALMNAUTS2RKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004043951-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS | CAREX S.A. (FR) | 2004-05-27 | — | — | WO | claimed |