Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL4790340 | 0.88 | CYP2A6 (0.42) | NAPRTCHRM5KDM4EPOLBKMT2A | |
| SCHEMBL4792177 | 0.85 | CYP2A6 (0.37) | NAPRTCHRM5PTGS2KDM4EPOLB | |
| SCHEMBL4793065 | 0.82 | PTGS2 (0.44) | PTGS2 | |
| SCHEMBL4791372 | 0.81 | GBA1 (0.40) | NAPRTKDM4EPOLBKMT2AMAPT | |
| SCHEMBL4793153 | 0.78 | POLB (0.35) | PTGES2NAPRTCHRM5PTGS2POLB | |
| SCHEMBL1580390 | 0.75 | TSHR (0.39) | PTGES2CHRM5PTGS2POLBKMT2A | |
| SCHEMBL3906007 | 0.75 | TSHR (0.42) | LMNA | |
| SCHEMBL1278515 | 0.73 | NAMPT (0.40) | KDM4EHTR6LMNASMN1; SMN2 | |
| SCHEMBL1278681 | 0.73 | TACR1 (0.38) | KDM4EUSP2HTTNPSR1LMNA | |
| Methylamine SCHEMBL28367776 | 0.73 | PSEN1 (0.39) | PTGES2NAPRTCHRM5PTGS2KDM4E |
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 |