Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL5608003 | 0.95 | CYP2C19 (0.45) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL5608240 | 0.93 | CYP2C19 (0.48) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL15461462 | 0.74 | CYP2C19 (0.38) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL1825623 | 0.73 | CYP2C19 (0.45) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL25545381 | 0.72 | CYP2C19 (0.36) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL5019821 | 0.71 | CYP2C19 (0.48) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL15798070 | 0.71 | CYP2C19 (0.48) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL17234436 | 0.71 | CYP1A2 (0.37) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL2867961 | 0.70 | — | — | |
| SCHEMBL3373260 | 0.70 | CYP2C19 (0.42) | CYP2C19CYP1A2USP2ALDH1A1LMNA |
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 |