Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 5/20 | 0.33 |
| ▸ | CA2 | P00918 | 5/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL7047732 | 0.80 | GAA (0.34) | GAACA1CA2CA9CA12 | |
| SCHEMBL3066974 | 0.77 | ENPP2 (0.43) | PTGS2SMN1; SMN2 | |
| SCHEMBL18230176 | 0.76 | L3MBTL1 (0.39) | GAACA1CA2CA9CA12 | |
| SCHEMBL18230264 | 0.76 | PLCG1 (0.33) | CA2PTGS2 | |
| SCHEMBL1197147 | 0.76 | PTGS2 (0.36) | CA1CA2CA9CA12CA3 | |
| SCHEMBL6958683 | 0.71 | PTGS2 (0.39) | CA1CA2CA9CA12CA3 | |
| SCHEMBL18229988 | 0.70 | CA2 (0.41) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL6963062 | 0.70 | CA1 (0.42) | CA1CA2CA9CA12CA3 | |
| SCHEMBL2188402 | 0.70 | KIF11 (0.46) | PTGS2ALDH1A1CYP3A4PTGS1 | |
| SCHEMBL22804 | 0.68 | CA1 (0.36) | GAACA1CA2CA9CA12 |
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-1907376-A2 | STEREOISOMERIC PYRIDYL AND PYRIDONYL COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS | Aryx Therapeutics, Inc. (US) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007005951-A2 | STEREOISOMERIC PYRIDYL AND PYRIDONYL COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS | ARYX THERAPEUTICS, INC. (US) | 2007-01-11 | — | — | WO | disclosed |