Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.59 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | CDC42 | P60953 | 1/20 | 0.46 |
| ▸ | RAC1 | P63000 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MMP12 | P39900 | 2/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | PDE2A | O00408 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9680432 | 0.95 | PTGS2 (0.50) | PTGS2AKR1C2APPCYP2C19AKR1C3 | |
| SCHEMBL9680427 | 0.95 | PTGS2 (0.50) | PTGS2AKR1C2APPCYP2C19AKR1C3 | |
| SCHEMBL6272901 | 0.86 | PTGS2 (0.52) | PTGS2AKR1C2AKR1C1APPCYP2C19 | |
| SCHEMBL27642563 | 0.83 | PDE2A (0.50) | ALDH1A1PDE2A | |
| SCHEMBL917093 | 0.80 | PTGS2 (0.87) | PTGS2AKR1C2AKR1C3PTGS1TSHR | |
| SCHEMBL27181204 | 0.80 | EPHX1 (0.54) | ALDH1A1PDE2A | |
| SCHEMBL4517394 | 0.80 | SCN10A (0.52) | PTGS2AKR1C2APPCYP2C19AKR1C3 | |
| SCHEMBL1678493 | 0.80 | PTGS2 (0.67) | PTGS2AKR1C2APPCYP2C19AKR1C3 | |
| SCHEMBL12591831 | 0.79 | ALDH1A1 (0.59) | AKR1C2AKR1C1AURKATPX2ALDH1A1 | |
| SCHEMBL10992464 | 0.79 | AKR1C2 (0.54) | AKR1C2AKR1C1AURKATPX2AKR1C3 |
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-1644321-B1 | NEW BENZAMIDES AS PPATY MODULATORS | S A L V A T LAB SA (ES) | 2011-02-09 | — | — | EP | claimed |