Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 6/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27744207 | 0.88 | CHRNB2 (0.39) | CHRNB2CHRNA4ALOX15CYP2C19CHRNB4 | |
| Hydrochloric Acid SCHEMBL27744073 | 0.84 | CHRNB2 (0.39) | CHRNB2CHRNA4ALOX15CYP2C19CHRNB4 | |
| Hydrochloric Acid SCHEMBL27723304 | 0.84 | NFE2L2 (0.41) | CHRNB2CHRNA4ALOX15CYP2C19CHRNB4 | |
| Fumaric Acid SCHEMBL27723433 | 0.83 | AKR1C4 (0.38) | CHRNB2CHRNA4ALOX15CYP2C19CHRNB4 | |
| SCHEMBL1278540 | 0.82 | NAMPT (0.36) | ALOX15CYP2C19NAMPTCYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL27723343 | 0.81 | CHRNB2 (0.39) | CHRNB2CHRNA4ALOX15CYP2C19CHRNB4 | |
| SCHEMBL28021159 | 0.81 | NFE2L2 (0.40) | MEN1KMT2ANFE2L2CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL27744189 | 0.80 | NFE2L2 (0.36) | CHRNB2CHRNA4ALOX15CYP2C19CHRNB4 | |
| Fumaric Acid SCHEMBL27723235 | 0.78 | NAMPT (0.34) | CHRNB2CHRNA4ALOX15CYP2C19CHRNB4 | |
| SCHEMBL27744011 | 0.78 | KCNA5 (0.33) | ALOX15CYP2C19NAMPTCYP11B1CYP11B2 |
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 |