Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27723249 | 0.88 | NFE2L2 (0.38) | DCTPP1ALDH1A1SMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL27744007 | 0.79 | NFE2L2 (0.42) | ALDH1A1SMN1; SMN2CYP11B1CYP11B2CHRNB2 | |
| SCHEMBL27723224 | 0.78 | CYP11B1 (0.40) | DCTPP1ALDH1A1SMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL27744024 | 0.78 | TBXAS1 (0.38) | DCTPP1ALDH1A1SMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL1156646 | 0.77 | KDM4E (0.41) | ALDH1A1SMN1; SMN2CYP11B1CYP11B2CYP2C9 | |
| SCHEMBL27744045 | 0.77 | TSHR (0.30) | PTGS2 | |
| SCHEMBL27723296 | 0.77 | NFE2L2 (0.40) | ALDH1A1SMN1; SMN2CYP11B1CYP11B2CHRNB2 | |
| SCHEMBL27723299 | 0.77 | CHRNB2 (0.41) | DCTPP1CYP11B1CYP11B2CHRNB2CHRNA4 | |
| SCHEMBL27723412 | 0.77 | NFE2L2 (0.40) | ALDH1A1SMN1; SMN2CYP11B1CYP11B2CHRNB2 | |
| SCHEMBL27723432 | 0.76 | L3MBTL1 (0.38) | ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP1A2 |
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 |