Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCGR | P47871 | 8/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 2/20 | 0.31 |
| ▸ | CSGALNACT1 | Q8TDX6 | 1/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL25545407 | 1.00 | GCGR (0.36) | GCGRMMP1MMP2MMP3MMP7 | |
| SCHEMBL25543950 | 1.00 | GCGR (0.36) | GCGRMMP1MMP2MMP3MMP7 | |
| SCHEMBL23887748 | 0.85 | GCGR (0.38) | GCGR | |
| SCHEMBL30121089 | 0.85 | GCGR (0.38) | GCGR | |
| SCHEMBL25265198 | 0.85 | GCGR (0.38) | GCGR | |
| SCHEMBL23896331 | 0.85 | GCGR (0.38) | GCGR | |
| SCHEMBL23896334 | 0.82 | GCGR (0.35) | GCGR | |
| SCHEMBL25545423 | 0.78 | GCGR (0.43) | GCGR | |
| SCHEMBL23896335 | 0.77 | GCGR (0.38) | GCGR | |
| SCHEMBL25548631 | 0.76 | GCGR (0.35) | GCGR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021203028-A1 | 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |