Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL27744007 | 0.91 | NFE2L2 (0.42) | NFE2L2CYP11B1CYP11B2ALDH1A1LMNA | |
| SCHEMBL27723412 | 0.89 | NFE2L2 (0.40) | NFE2L2CYP11B1CYP11B2ALDH1A1LMNA | |
| SCHEMBL28031577 | 0.85 | NFE2L2 (0.42) | NFE2L2CYP11B1CYP11B2ALDH1A1LMNA | |
| SCHEMBL27723249 | 0.81 | NFE2L2 (0.38) | NFE2L2CYP11B1CYP11B2ALDH1A1MAPT | |
| SCHEMBL27744280 | 0.81 | NFE2L2 (0.43) | NFE2L2CYP11B1CYP11B2ALDH1A1LMNA | |
| SCHEMBL27723315 | 0.80 | NFE2L2 (0.35) | NFE2L2CYP11B1CYP11B2TBXAS1CHRNB2 | |
| SCHEMBL1278426 | 0.79 | CHRNB2 (0.36) | NFE2L2ALDH1A1HTTSMN1; SMN2CHRNB2 | |
| SCHEMBL27723313 | 0.77 | NFE2L2 (0.40) | NFE2L2CYP11B1CYP11B2ALDH1A1LMNA | |
| SCHEMBL27744003 | 0.77 | DCTPP1 (0.38) | NFE2L2CYP11B1CYP11B2ALDH1A1MAPT | |
| SCHEMBL27743986 | 0.76 | NFE2L2 (0.40) | NFE2L2CYP11B1CYP11B2ALDH1A1LMNA |
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 |