Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 5/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMO | Q99835 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4793151 | 0.85 | PTGES2 (0.35) | CHRM5NAPRTPTGS2MAPTSMN1; SMN2 | |
| SCHEMBL4790340 | 0.82 | CYP2A6 (0.42) | CYP2A6CHRM5NAPRTMAPTSMN1; SMN2 | |
| SCHEMBL4793065 | 0.80 | PTGS2 (0.44) | PTGS2 | |
| SCHEMBL4791372 | 0.80 | GBA1 (0.40) | CYP2A6NAPRTMAPTSMN1; SMN2POLB | |
| SCHEMBL4792179 | 0.79 | CYP2A6 (0.36) | CYP2A6CHRM5RAPGEF4METPTGS2 | |
| SCHEMBL1581058 | 0.76 | TSHR (0.38) | CYP2A6CHRM5RAPGEF4METMAPT | |
| SCHEMBL9988642 | 0.76 | TSHR (0.41) | KMT2A | |
| SCHEMBL1278610 | 0.74 | RIPK1 (0.34) | CHRM5GPBAR1MAPTSMN1; SMN2 | |
| Fumaric Acid SCHEMBL1278719 | 0.72 | HDAC1 (0.35) | SMN1; SMN2POLBKMT2AKDM4E | |
| Fumaric Acid SCHEMBL1278717 | 0.72 | HDAC1 (0.35) | SMN1; SMN2POLBKMT2AKDM4E |
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-1919865-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026916-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-03-08 | — | — | WO | disclosed |