Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | ACLY | P53396 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | CDK8 | P49336 | 1/20 | 0.30 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 SCHEMBL28772991 | 0.83 | RECQL (0.32) | RECQLACLY | |
| SCHEMBL1156203 | 0.79 | ACLY (0.41) | ACLYSMN1; SMN2PTGS1PTGS2CDK8 | |
| SCHEMBL27744047 | 0.77 | PTGS2 (0.30) | PTGS1PTGS2 | |
| SCHEMBL27744004 | 0.75 | SMN1; SMN2 (0.35) | SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL27723432 | 0.74 | L3MBTL1 (0.38) | RECQLACLYSMN1; SMN2NPSR1PTGS1 | |
| SCHEMBL1156235 | 0.67 | KDM4E (0.51) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL1156652 | 0.66 | KDM4E (0.35) | NPSR1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL1156805 | 0.64 | THRB (0.41) | SMN1; SMN2PTGS2ALDH1A1 | |
| SCHEMBL1156362 | 0.64 | HTR6 (0.41) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27723255 | 0.64 | — | — |
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 |