Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 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 | |
|---|---|---|---|---|
| SCHEMBL7668564 | 0.87 | GAA (0.50) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL26711233 | 0.87 | ALDH1A1 (0.45) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL4996013 | 0.85 | GAA (0.48) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL20751807 | 0.83 | ALDH1A1 (0.54) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL9512985 | 0.83 | TRPA1 (0.41) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL232993 | 0.83 | GAA (0.55) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL2991171 | 0.82 | TDP1 (0.54) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL15012601 | 0.82 | TDP1 (0.54) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL13399149 | 0.82 | GAA (0.44) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL6898390 | 0.80 | GAA (0.43) | ALDH1A1TRPA1GAAMGAMSI |
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 6 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-4997847-A | Thromboxane A2 antagonists | SMITH KLINE & FRENCH LABORATORIES LIMITED (DE) | 1991-03-05 | — | — | US | disclosed |
| US-4981873-A | ANTICOAGULANTS | BOEHRINGER MANNHEIM GMBH (DE) | 1991-01-01 | — | — | US | disclosed |
| EP-0304271-A2 | Omega-arylsulphonamidoalkanoic acids for treatment of thromboxane medited diseases | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1989-02-22 | — | — | EP | disclosed |
| US-4609673-A | ANTILIPEMIC AGENTS | BOEHRINGER MANNHEIM GMBH (DE) | 1986-09-02 | — | — | US | disclosed |
| EP-0149201-A1 | Carboxylic acid derivatives, processes for their production and pharmaceutical preparations containing them | Roche Diagnostics GmbH (DE) | 1985-07-24 | — | — | EP | disclosed |