Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
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 | 0.88 | PTGES2 (0.35) | CHRM5NAPRTPOLBKMT2AKDM4E | |
| Methylamine SCHEMBL28371746 | 0.82 | CYP2A6 (0.45) | CYP2A6CYP2E1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4792177 | 0.82 | CYP2A6 (0.37) | CYP2A6CHRM5NAPRTPOLBKMT2A | |
| SCHEMBL4791372 | 0.80 | GBA1 (0.40) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL4790343 | 0.80 | CYP2E1 (0.39) | CYP2A6CYP2E1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4793065 | 0.79 | PTGS2 (0.44) | — | |
| SCHEMBL14828747 | 0.78 | CYP2E1 (0.41) | CYP2A6CYP2E1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL193717 | 0.77 | CYP2E1 (0.40) | CYP2A6CYP2E1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9988058 | 0.77 | CYP2C9 (0.40) | CYP2A6CYP2E1CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL1156993 | 0.77 | CYP2E1 (0.39) | CYP2A6CYP2E1CYP3A4CYP2D6CYP2C9 |
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 |