Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | DCTPP1 | Q9H773 | 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 | |
|---|---|---|---|---|
| SCHEMBL27744280 | 0.89 | NFE2L2 (0.43) | CYP2D6CYP11B2CYP11B1NFE2L2CHRNB2 | |
| SCHEMBL27743979 | 0.86 | NFE2L2 (0.37) | CYP2D6CYP11B2CYP11B1NFE2L2CHRNB2 | |
| SCHEMBL28944099 | 0.86 | NFE2L2 (0.33) | CYP2D6CYP11B2CYP11B1NFE2L2CHRNB2 | |
| SCHEMBL27723224 | 0.85 | CYP11B1 (0.40) | CYP2D6CYP1A1CYP1A2CYP1B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL27864966 | 0.85 | NFE2L2 (0.32) | CYP2D6CYP11B2CYP11B1NFE2L2CHRNB2 | |
| SCHEMBL27723265 | 0.85 | SLC22A12 (0.36) | CYP2D6CYP1A2CYP3A4CYP11B2CYP11B1 | |
| SCHEMBL1278422 | 0.79 | HDAC1 (0.37) | CYP11B1NFE2L2KDM4EPTGS2NPC1 | |
| SCHEMBL27723241 | 0.76 | NFE2L2 (0.32) | NFE2L2PTGS2 | |
| SCHEMBL28021159 | 0.76 | NFE2L2 (0.40) | CYP11B2CYP11B1NFE2L2MEN1KMT2A | |
| SCHEMBL27743978 | 0.76 | TSHR (0.38) | CYP2D6CYP11B2CYP11B1NFE2L2CHRNB2 |
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 |