Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 2/20 | 0.40 |
| ▸ | FABP3 | P05413 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | PTPRF | P10586 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GRM6 | O15303 | 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 | |
|---|---|---|---|---|
| SCHEMBL69825 | 0.77 | GRIA4 (0.50) | SMN1; SMN2GRIA4CYP2C9CYP2C19MEN1 | |
| SCHEMBL17013379 | 0.73 | CHRNA7 (0.54) | SMN1; SMN2GRIA4FABP4FABP3MEN1 | |
| SCHEMBL14246796 | 0.70 | MCL1 (0.48) | SMN1; SMN2CYP2C19FABP4FABP3MEN1 | |
| Thiophene SCHEMBL27729425 | 0.69 | GRIA4 (0.44) | SMN1; SMN2GRIA4CYP2C9CYP2C19MEN1 | |
| SCHEMBL25211130 | 0.69 | CYP2C9 (0.48) | GRIA4CYP2C9CYP2C19ALDH1A1GPR35 | |
| SCHEMBL20015932 | 0.68 | BCL2L1 (0.52) | GRIA4CYP2C9CYP2C19MAPTPTPN1 | |
| SCHEMBL2958622 | 0.68 | MCL1 (0.61) | GRIA4CYP2C9CYP2C19FABP4MEN1 | |
| SCHEMBL6277250 | 0.68 | POLB (0.50) | SMN1; SMN2GRIA4CYP2C19FABP4KMT2A | |
| SCHEMBL25220193 | 0.68 | CYP2C9 (0.39) | SMN1; SMN2GRIA4CYP2C9CYP2C19MAPT | |
| SCHEMBL31015920 | 0.68 | CYP2C9 (0.39) | SMN1; SMN2GRIA4CYP2C9CYP2C19MAPT |
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-2307394-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2011-04-13 | — | — | EP | disclosed |
| WO-2010002209-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2010-01-07 | — | — | WO | disclosed |