Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL11359395 | 0.81 | HPGD (0.45) | ALDH1A1TSHR | |
| SCHEMBL7789704 | 0.80 | MEN1 (0.32) | — | |
| SCHEMBL3560235 | 0.77 | HPGD (0.46) | ALDH1A1 | |
| SCHEMBL7528041 | 0.77 | CA1 (0.39) | — | |
| SCHEMBL14855298 | 0.74 | CALM1 (0.50) | ALDH1A1TSHR | |
| SCHEMBL5191602 | 0.74 | PLK1 (0.44) | ALDH1A1 | |
| SCHEMBL8401340 | 0.74 | HRH3 (0.53) | — | |
| SCHEMBL515528 | 0.73 | MEN1 (0.43) | ALDH1A1TSHR | |
| SCHEMBL5546165 | 0.71 | HPGD (0.51) | ALDH1A1 | |
| SCHEMBL131361 | 0.71 | ALDH1A1 (0.67) | TRPA1ALDH1A1TSHRCES2CES1 |
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-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | disclosed |