Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7971709 | 0.90 | THRB (0.37) | CYP2C9CYP2C19CYP3A4HCAR2HTR6 | |
| SCHEMBL7971560 | 0.87 | PSIP1 (0.39) | CYP2C9CYP2C19CYP1A2CYP3A4HCAR2 | |
| SCHEMBL7974914 | 0.79 | HCAR2 (0.38) | HCAR2HTR6LMNAPTGS2ACLY | |
| SCHEMBL3510826 | 0.79 | SOD1 (0.44) | CYP2C9CYP2C19CYP1A2CMA1LMNA | |
| SCHEMBL31490469 | 0.79 | SMN1; SMN2 (0.41) | HCAR2LOXL2 | |
| SCHEMBL15052713 | 0.79 | SMN1; SMN2 (0.41) | HCAR2LOXL2 | |
| SCHEMBL31097440 | 0.75 | PTGS2 (0.48) | HCAR2PTGS2ACLYPTGDR2 | |
| SCHEMBL12417957 | 0.75 | PTGS2 (0.48) | HCAR2PTGS2ACLYPTGDR2 | |
| SCHEMBL7397540 | 0.75 | CYP2C9 (0.47) | CYP2C9CYP2C19HCAR2LMNAPTGS2 | |
| SCHEMBL6097587 | 0.73 | PTGDR2 (0.48) | CYP2C19CYP1A2CYP3A4CYP2D6LMNA |
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-2001017965-A2 | CYANOPIPERIDINES AS PESTICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2001-03-15 | — | — | WO | disclosed |