Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.31 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.31 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.31 |
| ▸ | IDH2 | P48735 | 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 | |
|---|---|---|---|---|
| SCHEMBL27723532 | 0.87 | APP (0.36) | CYP11B1CYP11B2KMT2AAPPCYP2C9 | |
| SCHEMBL27744042 | 0.85 | PADI4 (0.35) | — | |
| SCHEMBL27723224 | 0.83 | CYP11B1 (0.40) | CYP11B1CYP11B2KMT2ACYP2C9 | |
| SCHEMBL1278597 | 0.79 | SLC40A1 (0.35) | CYP11B1CYP11B2KMT2ACYP3A4CYP2C9 | |
| Isophthalic Acid SCHEMBL27723393 | 0.79 | MEN1 (0.34) | CYP11B1CYP11B2KMT2AAPPIDH2 | |
| SCHEMBL27723320 | 0.78 | NFE2L2 (0.40) | KMT2A | |
| SCHEMBL27723405 | 0.77 | BRD4 (0.30) | — | |
| SCHEMBL28776397 | 0.75 | TUBB4A (0.40) | KMT2A | |
| SCHEMBL27723265 | 0.75 | SLC22A12 (0.36) | CYP11B1CYP11B2CYP3A4CYP2C9SLC22A12 | |
| SCHEMBL28772958 | 0.74 | CYP11B1 (0.31) | CYP11B1CYP11B2CYP3A4CYP2C9SLC22A6 |
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 |