Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.53 |
| ▸ | CTSK | P43235 | 5/20 | 0.52 |
| ▸ | CTSS | P25774 | 3/20 | 0.51 |
| ▸ | CTSL | P07711 | 2/20 | 0.51 |
| ▸ | CTSB | P07858 | 2/20 | 0.51 |
| ▸ | PPARA | Q07869 | 3/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | KYNU | Q16719 | 1/20 | 0.49 |
| ▸ | TACR1 | P25103 | 2/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6560905 | 1.00 | CASP1 (0.53) | CASP1CTSKCTSSCTSLCTSB | |
| SCHEMBL2936831 | 0.91 | KYNU (0.57) | CASP1CTSKCTSSCTSLCTSB | |
| SCHEMBL27845832 | 0.91 | KYNU (0.57) | CASP1CTSKCTSSCTSLCTSB | |
| SCHEMBL3559170 | 0.86 | CASP1 (0.67) | CASP1CTSKCTSSCTSLPPARA | |
| SCHEMBL13140886 | 0.86 | CTRB1 (0.53) | CASP1CTSKCTSSCTSLCTSB | |
| SCHEMBL7283452 | 0.84 | CTSK (0.54) | CASP1CTSKCTSSCTSLCTSB | |
| SCHEMBL1161891 | 0.83 | CTSK (0.56) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL12873775 | 0.83 | CTSK (0.56) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL13410408 | 0.83 | CTSK (0.56) | CTSKCTSSCTSLCTSBPPARA | |
| Hydrochloric Acid SCHEMBL1161839 | 0.82 | CTSK (0.55) | CTSKCTSSCTSLCTSBPPARA |
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-0998488-B1 | POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2004-03-17 | — | — | EP | disclosed |
| US-6423869-B1 | BACTERICIDES, ANTIULCER AGENTS | TAKEDA CHEMICAL INDUSTRIES, INC. (JP) | 2002-07-23 | — | — | US | disclosed |