Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 6/20 | 0.35 |
| ▸ | MMP1 | P03956 | 5/20 | 0.35 |
| ▸ | MMP13 | P45452 | 5/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 4/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1278280 | 0.96 | CHRNB4 (0.37) | MMP9CHRNB4CHRNA3NAMPTLMNA | |
| SCHEMBL4792901 | 0.88 | PTGDR2 (0.34) | CHRNB4CHRNA3GPBAR1POLBPTGER2 | |
| Fumaric Acid SCHEMBL4791587 | 0.88 | NAMPT (0.35) | MMP9MMP1MMP13CHRNB4CHRNA3 | |
| SCHEMBL4791526 | 0.87 | NAMPT (0.35) | MMP9MMP1MMP13NAMPTCHRM5 | |
| SCHEMBL1157394 | 0.86 | PTGDR2 (0.39) | CHRNB4CHRNA3NAMPTLMNAPOLB | |
| SCHEMBL4789902 | 0.86 | CLK1 (0.36) | MMP9MMP1MMP13CHRNB4CHRNA3 | |
| SCHEMBL1156756 | 0.85 | PTGER2 (0.38) | KMT2APTGER2 | |
| SCHEMBL4422722 | 0.84 | PTGDR2 (0.34) | SMN1; SMN2PTGER2GAA | |
| SCHEMBL1278636 | 0.84 | LMNA (0.41) | MMP9CHRNB4CHRNA3NAMPTLMNA | |
| Carbamic Acid SCHEMBL4791646 | 0.84 | PTGER2 (0.39) | KMT2APTGER2 |
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 |