Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL1831667 | 0.89 | NFE2L2 (0.33) | NFE2L2GSK3BALDH1A1MMP2MMP9 | |
| SCHEMBL1835872 | 0.85 | GRM4 (0.31) | — | |
| SCHEMBL4415071 | 0.85 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL4424412 | 0.84 | SLC40A1 (0.31) | — | |
| SCHEMBL2408490 | 0.83 | HTR6 (0.35) | METALDH1A1 | |
| SCHEMBL2411543 | 0.83 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL1831693 | 0.83 | — | — | |
| SCHEMBL4425656 | 0.83 | MET (0.39) | METALDH1A1 | |
| SCHEMBL1832698 | 0.82 | RORC (0.32) | — | |
| SCHEMBL4420426 | 0.82 | KMT2A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2318390-A1 | PYRROLE COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010024451-A1 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-03-04 | — | — | WO | disclosed |