Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL1278573 | 0.83 | NAMPT (0.35) | HTR2CSLC6A4RIPK1NAMPT | |
| SCHEMBL27744000 | 0.81 | KCNA5 (0.30) | KCNA5 | |
| SCHEMBL27744020 | 0.80 | NAMPT (0.37) | HTR2CSLC6A4RIPK1NAMPT | |
| SCHEMBL27743985 | 0.79 | HTR2C (0.35) | HTR2CSLC6A4NPSR1 | |
| SCHEMBL4793917 | 0.79 | HTR2C (0.32) | HTR2CSLC6A4RIPK1NAMPT | |
| SCHEMBL27723214 | 0.77 | HTR2C (0.36) | HTR2CSLC6A4NPSR1 | |
| SCHEMBL28772918 | 0.76 | CYP3A4 (0.36) | NAMPTCYP3A4NPSR1LMNA | |
| SCHEMBL1278709 | 0.75 | PTGER2 (0.33) | HTR2CSLC6A4RIPK1NAMPT | |
| SCHEMBL1157020 | 0.74 | TACR1 (0.41) | HTR2CSLC6A4RIPK1NAMPTNPSR1 | |
| SCHEMBL27743996 | 0.73 | AKT1 (0.37) | NAMPTCYP3A4 |
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 |