Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | BHMT | Q93088 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512942 | 0.85 | BHMT (0.39) | TRPA1ALDH1A1BHMTGAAMGAM | |
| SCHEMBL9511916 | 0.83 | ALDH1A1 (0.50) | TRPA1ALDH1A1GAAMGAMSI | |
| SCHEMBL7668564 | 0.78 | GAA (0.50) | TRPA1ALDH1A1GAAMGAMSI | |
| SCHEMBL26711233 | 0.78 | ALDH1A1 (0.45) | TRPA1ALDH1A1GAAMGAMSI | |
| SCHEMBL9515174 | 0.77 | CYP4F2 (0.49) | TRPA1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4996013 | 0.77 | GAA (0.48) | TRPA1ALDH1A1GAAMGAMSI | |
| SCHEMBL20751807 | 0.75 | ALDH1A1 (0.54) | TRPA1ALDH1A1GAAMGAMSI | |
| SCHEMBL232993 | 0.74 | GAA (0.55) | TRPA1ALDH1A1GAAMGAMSI | |
| SCHEMBL10890422 | 0.74 | GBA1 (0.40) | ALDH1A1BHMTGAAMGAMSI | |
| SCHEMBL13399149 | 0.73 | GAA (0.44) | TRPA1ALDH1A1GAAMGAMSI |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0353448-B1 | Sulfon amides, process for their preparation and pharmaceutical preparations containing them | BOEHRINGER MANNHEIM GMBH (DE) | 1993-10-27 | — | — | EP | disclosed |
| US-4981873-A | ANTICOAGULANTS | BOEHRINGER MANNHEIM GMBH (DE) | 1991-01-01 | — | — | US | disclosed |
| EP-0353448-A1 | Sulfon amides, process for their preparation and pharmaceutical preparations containing them | Roche Diagnostics GmbH (DE) | 1990-02-07 | — | — | EP | disclosed |