Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 6/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL29151844 | 0.86 | ALOX5 (0.42) | ALDH1A1ALOX5PTGS2CYP3A4EGFR | |
| SCHEMBL7566203 | 0.83 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TNKS2 | |
| SCHEMBL29151845 | 0.82 | ALOX5 (0.39) | ALDH1A1ALOX5PTGS2EGFRTYR | |
| SCHEMBL28660487 | 0.81 | ALOX5 (0.44) | ALDH1A1ALOX5PTGS2CYP3A4TYR | |
| SCHEMBL2706219 | 0.81 | ALOX5 (0.49) | ALOX5PTGS2CYP3A4EGFRTYR | |
| SCHEMBL3794032 | 0.80 | ALOX5 (0.51) | ALDH1A1ALOX5PTGS2CYP3A4EGFR | |
| Acetic Acid SCHEMBL9331113 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TNKS2 | |
| SCHEMBL12653882 | 0.79 | ALOX5 (0.47) | ALOX5PTGS2CYP3A4EGFRTYR | |
| SCHEMBL11717351 | 0.78 | ESR1 (0.41) | ALOX5PTGS2EGFRTYRPOLB | |
| SCHEMBL14203286 | 0.78 | EGFR (0.47) | ALDH1A1ALOX5PTGS2EGFRTYR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888365-A1 | A PROCESS FOR THE PREPARATION OF DIPHOSPHONATE DERIVATIVES | SYMPHAR S.A. (CH) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997031004-A1 | A PROCESS FOR THE PREPARATION OF DIPHOSPHONATE DERIVATIVES | SYMPHAR S.A. (CH) | 1997-08-28 | — | — | WO | disclosed |