Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | VEGFA | P15692 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8171410 | 0.86 | KCNN4 (0.56) | KCNN4CES1NR1H2NR1H3MAPK1 | |
| SCHEMBL27910386 | 0.86 | KCNN4 (0.47) | KCNN4CES1NR1H2NR1H3MAPK1 | |
| SCHEMBL236357 | 0.84 | CES1 (0.47) | KCNN4CES1NR1H2NR1H3MAPK1 | |
| SCHEMBL246914 | 0.84 | CES1 (0.47) | KCNN4CES1NR1H2NR1H3MAPK1 | |
| SCHEMBL236358 | 0.84 | CES1 (0.47) | KCNN4CES1NR1H2NR1H3MAPK1 | |
| Hydrochloric Acid SCHEMBL4926039 | 0.82 | CES1 (0.46) | KCNN4CES1NR1H2NR1H3MAPK1 | |
| Hydrochloric Acid SCHEMBL5595770 | 0.82 | CES1 (0.46) | KCNN4CES1NR1H2NR1H3MAPK1 | |
| Hydrochloric Acid SCHEMBL8829227 | 0.82 | CES1 (0.46) | KCNN4CES1NR1H2NR1H3MAPK1 | |
| SCHEMBL27910400 | 0.82 | KCNN4 (0.43) | KCNN4CES1NR1H2NR1H3MAPK1 | |
| SCHEMBL12712220 | 0.82 | KCNN4 (0.43) | KCNN4CES1NR1H2NR1H3MAPK1 |
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-1513527-A1 | PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS | Takeda Pharmaceutical Company Limited (JP) | 2005-03-16 | — | — | EP | disclosed |
| WO-2003105845-A1 | PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-12-24 | — | — | WO | disclosed |