Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.30 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.30 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.30 |
| ▸ | KCNJ8 | Q15842 | 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 | |
|---|---|---|---|---|
| SCHEMBL4566627 | 0.86 | ABCC9 (0.33) | TSHRABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL4569945 | 0.86 | ALDH1A1 (0.36) | HTT | |
| SCHEMBL4566561 | 0.84 | HTR6 (0.40) | — | |
| SCHEMBL4566724 | 0.83 | — | — | |
| SCHEMBL4566781 | 0.83 | — | — | |
| SCHEMBL4566599 | 0.83 | RXFP1 (0.35) | — | |
| SCHEMBL2410515 | 0.82 | HTR2C (0.33) | TSHRHTTABCC9ABCC8KCNJ11 | |
| SCHEMBL4566448 | 0.81 | HTT (0.34) | HTT | |
| SCHEMBL2407107 | 0.80 | DHODH (0.33) | — | |
| SCHEMBL2410178 | 0.79 | NAMPT (0.37) | — |
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-2114917-A2 | PYRROLE COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008108380-A2 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-12 | — | — | WO | disclosed |