Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL27723227 | 0.85 | GLO1 (0.36) | SMN1; SMN2CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL27723311 | 0.83 | SMN1; SMN2 (0.36) | LMNATSHRHTTSMN1; SMN2CYP11B2 | |
| SCHEMBL1278549 | 0.81 | LMNA (0.44) | LMNATSHRHTTSMN1; SMN2CYP11B2 | |
| SCHEMBL27744282 | 0.77 | NFE2L2 (0.33) | SMN1; SMN2CYP11B2CYP11B1CYP3A4CYP2C19 | |
| SCHEMBL27743978 | 0.76 | TSHR (0.38) | LMNATSHRHTTSMN1; SMN2CYP11B2 | |
| SCHEMBL27723333 | 0.76 | — | — | |
| SCHEMBL27723267 | 0.74 | SLC22A12 (0.36) | ADRB3CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28944101 | 0.74 | KCNA5 (0.33) | — | |
| Hydrochloric Acid SCHEMBL27864967 | 0.73 | KCNA5 (0.33) | — | |
| SCHEMBL27744043 | 0.72 | USP8 (0.30) | — |
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 |