Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | TSHR | P16473 | 6/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6215886 | 0.75 | ALDH1A1 (0.61) | ALDH1A1TSHRALOX15HSD17B10SLC2A1 | |
| Fluoride SCHEMBL28793708 | 0.73 | ALDH1A1 (0.58) | ALDH1A1TSHRALOX15HSD17B10SLC2A1 | |
| SCHEMBL11044281 | 0.72 | ALDH1A1 (0.65) | ALDH1A1TSHRALOX15HSD17B10SLC2A1 | |
| SCHEMBL65261 | 0.71 | ALDH1A1 (1.00) | ALDH1A1TSHRALOX15HSD17B10SLC2A1 | |
| SCHEMBL9499497 | 0.70 | MAPK1 (0.35) | ALDH1A1TSHRALOX15MAPK1CYP3A4 | |
| SCHEMBL28462669 | 0.68 | ALDH1A1 (0.50) | ALDH1A1TSHRALOX15HSD17B10MAPK1 | |
| Hydrochloric Acid SCHEMBL2443748 | 0.68 | ALDH1A1 (0.92) | ALDH1A1TSHRALOX15HSD17B10SLC2A1 | |
| Ammonia Solution, Strong SCHEMBL27868785 | 0.68 | ALDH1A1 (0.92) | ALDH1A1TSHRALOX15HSD17B10SLC2A1 | |
| Hydrochloric Acid SCHEMBL379126 | 0.68 | ALDH1A1 (0.92) | ALDH1A1TSHRALOX15HSD17B10SLC2A1 | |
| Hydrochloric Acid SCHEMBL379125 | 0.68 | ALDH1A1 (0.92) | ALDH1A1TSHRALOX15HSD17B10SLC2A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261613-B1 | GASTRO-SPECIFIC PRODRUGS | PHARMACIA CORP (US) | 2004-05-06 | — | — | EP | disclosed |
| EP-1261613-A1 | GASTRO-SPECIFIC PRODRUGS | Pharmacia Corporation (US) | 2002-12-04 | — | — | EP | disclosed |
| US-6413945-B1 | REACTION PRODUCT OF ORGANOSILICON COMPOUNDS AND DRUG; ANTIULCER AGENTS | PHARMACIA CORPORATION | 2002-07-02 | — | — | US | disclosed |
| WO-2001064690-A1 | GASTRO-SPECIFIC PRODRUGS | PHARMACIA CORPORATION (US) | 2001-09-07 | — | — | WO | disclosed |
| US-6030959-A | FOR TREATMENT AND PROPHYLAXIS OF GASTRIC ULCERS | MONSANTO COMPANY (US) | 2000-02-29 | — | — | US | disclosed |