Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PTAFR | P25105 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27723309 | 0.85 | LMNA (0.37) | TSHRLMNAHTTSMN1; SMN2CYP11B2 | |
| SCHEMBL27723224 | 0.85 | CYP11B1 (0.40) | SMN1; SMN2CYP11B2NAMPTALDH1A1NFE2L2 | |
| SCHEMBL1278549 | 0.81 | LMNA (0.44) | TSHRLMNAHTTSMN1; SMN2CYP11B2 | |
| SCHEMBL27744280 | 0.76 | NFE2L2 (0.43) | LMNAHTTSMN1; SMN2CYP11B2ALDH1A1 | |
| SCHEMBL27743980 | 0.76 | LMNA (0.38) | TSHRLMNAHTTSMN1; SMN2CYP11B2 | |
| SCHEMBL27723332 | 0.76 | CYP2D6 (0.34) | CYP11B2NFE2L2CYP11B1TBXAS1MEN1 | |
| SCHEMBL28944099 | 0.74 | NFE2L2 (0.33) | LMNAHTTSMN1; SMN2CYP11B2ALDH1A1 | |
| SCHEMBL27743979 | 0.74 | NFE2L2 (0.37) | CYP11B2NAMPTNFE2L2CYP11B1TBXAS1 | |
| SCHEMBL27723265 | 0.73 | SLC22A12 (0.36) | CYP11B2NAMPTNFE2L2CYP11B1TBXAS1 | |
| Hydrochloric Acid SCHEMBL27864966 | 0.73 | NFE2L2 (0.32) | LMNAHTTSMN1; SMN2CYP11B2ALDH1A1 |
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 |