Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL5717180 | 0.85 | ITGB1 (0.38) | ITGB1ITGA4ALDH1A1NPC1MAPT | |
| SCHEMBL5717206 | 0.84 | ALDH1A1 (0.43) | ALDH1A1TRPA1 | |
| SCHEMBL5717229 | 0.84 | ALDH1A1 (0.43) | ALDH1A1TRPA1 | |
| SCHEMBL5717084 | 0.83 | ITGB1 (0.39) | ITGB1ITGA4ALDH1A1NPC1MAPT | |
| SCHEMBL5717098 | 0.81 | TDP1 (0.39) | ITGB1ITGA4ALDH1A1NPC1MAPT | |
| SCHEMBL10890025 | 0.72 | CYP2D6 (0.46) | ALDH1A1POLBMAPTSMN1; SMN2MEN1 | |
| SCHEMBL16634924 | 0.72 | TRPA1 (0.50) | ALDH1A1KDM4EPOLBMAPTSMN1; SMN2 | |
| SCHEMBL16634923 | 0.72 | TRPA1 (0.50) | ALDH1A1KDM4EPOLBMAPTSMN1; SMN2 | |
| SCHEMBL16635481 | 0.71 | TRPA1 (0.53) | ALDH1A1KDM4EMAPTSMN1; SMN2TRPA1 | |
| SCHEMBL16635482 | 0.71 | TRPA1 (0.53) | ALDH1A1KDM4EMAPTSMN1; SMN2TRPA1 |
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 |