Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TRPV4 | Q9HBA0 | 3/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 3/20 | 0.39 |
| ▸ | BRD2 | P25440 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.38 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5717206 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TRPA1GAATRPV4MMP2 | |
| SCHEMBL5717180 | 0.85 | ITGB1 (0.38) | ALDH1A1TRPA1GAA | |
| SCHEMBL5717014 | 0.84 | ITGB1 (0.36) | ALDH1A1TRPA1 | |
| SCHEMBL5717084 | 0.83 | ITGB1 (0.39) | ALDH1A1TRPA1 | |
| SCHEMBL5717025 | 0.83 | EPHX2 (0.44) | ALDH1A1TRPA1TRPV4EPHX2HCRTR1 | |
| SCHEMBL5717017 | 0.83 | HCRTR1 (0.44) | ALDH1A1TRPV4HCRTR1HCRTR2 | |
| SCHEMBL5717033 | 0.82 | ALDH1A1 (0.49) | ALDH1A1TRPA1GAATRPV4EPHX2 | |
| SCHEMBL5717098 | 0.81 | TDP1 (0.39) | ALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL5717006 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TRPA1GAATRPV4BRD4 | |
| SCHEMBL5717214 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TRPA1GAATRPV4MMP2 |
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-1664010-A1 | SULFONAMIDES ANTAGONISING N-TYPE CALCIUM CHANNELS | Vernalis (R&D) Limited (GB) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005068448-A1 | SULFONAMIDES ANTAGONISING N-TYPE CALCIUM CHANNELS | IONIX PHARMACEUTICALS LIMITED (GB) | 2005-07-28 | — | — | WO | disclosed |