Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13742344 | 0.84 | MEN1 (0.35) | PTGS2PLAUTRPA1MEN1KMT2A | |
| SCHEMBL22568614 | 0.80 | PTGS2 (0.67) | PTGS2CYP3A4ACHEGPR84ALDH1A1 | |
| SCHEMBL19826377 | 0.79 | ACHE (0.34) | ACHELTA4HHSP90AB1 | |
| SCHEMBL25132526 | 0.79 | TYR (0.32) | ACHEHSP90AB1 | |
| SCHEMBL207718 | 0.77 | PTGS2 (0.48) | PTGS2CYP3A4ACHETRPA1LTA4H | |
| SCHEMBL14327172 | 0.77 | BACE1 (0.41) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL13325401 | 0.77 | BACE1 (0.50) | CYP3A4ACHECA12CA1CA2 | |
| SCHEMBL69634 | 0.77 | ACHE (0.55) | PTGS2CYP3A4ACHETRPA1LTA4H | |
| SCHEMBL13094275 | 0.76 | TAAR1 (0.46) | PTGS2CYP3A4LTA4HKMT2AGAA | |
| SCHEMBL6468860 | 0.75 | MEN1 (0.31) | MEN1KMT2AGAA |
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-1753708-B1 | NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME | UNIV BRIGHAM YOUNG (US) | 2018-02-21 | — | — | EP | disclosed |