Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27723344 | 0.86 | L3MBTL1 (0.36) | CYP2C19EPHX2PRMT6 | |
| Hydrochloric Acid SCHEMBL27723305 | 0.85 | EPHX2 (0.38) | CYP2C19EPHX2PRMT6 | |
| Hydrochloric Acid SCHEMBL27744124 | 0.83 | KCNA5 (0.34) | EPHX2PRMT6 | |
| SCHEMBL27744027 | 0.82 | IDO1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL27723311 | 0.81 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL27744209 | 0.81 | CYP3A4 (0.34) | CYP2C19EPHX2PRMT6 | |
| Hydrochloric Acid SCHEMBL27744074 | 0.81 | CYP3A4 (0.38) | — | |
| Fumaric Acid SCHEMBL27723245 | 0.80 | TBXAS1 (0.31) | — | |
| SCHEMBL1278724 | 0.80 | CYP2C19 (0.43) | CYP2C19CYP2A6EPHX2PRMT6 | |
| Fumaric Acid SCHEMBL28776395 | 0.79 | CYP3A4 (0.33) | CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101300229-B | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL | 2011-10-05 | — | — | CN | disclosed |
| CN-101300229-A | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2008-11-05 | — | — | CN | disclosed |