Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| SCHEMBL576511 | 0.77 | ALDH1A1 (0.35) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL1259681 | 0.75 | F2 (0.30) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL5080023 | 0.75 | HSD17B10 (0.31) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7357935 | 0.75 | F2 (0.36) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL1463615 | 0.73 | ELANE (0.34) | — | |
| SCHEMBL12785465 | 0.73 | — | — | |
| SCHEMBL576147 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL12784719 | 0.71 | — | — | |
| SCHEMBL8864068 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL28646053 | 0.70 | ALDH1A1 (0.38) | — |
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-2021203025-A1 | 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |