Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25477020 | 0.84 | KDM4E (0.34) | ELANEHSD11B1KDM4EALDH1A1TDP1 | |
| SCHEMBL14671150 | 0.82 | ELANE (0.40) | ELANEHSD11B1KDM4EALDH1A1GSK3B | |
| SCHEMBL23906394 | 0.81 | ITGB3 (0.37) | HSD17B10 | |
| SCHEMBL14671148 | 0.80 | KDM4E (0.39) | ELANEKDM4EALDH1A1GSK3BGSK3A | |
| SCHEMBL14671169 | 0.76 | ELANE (0.42) | ELANEKDM4EALDH1A1GSK3BGSK3A | |
| SCHEMBL25546858 | 0.76 | ELANE (0.37) | ELANEHSD11B1KDM4EALDH1A1TDP1 | |
| SCHEMBL30148862 | 0.74 | TSHR (0.38) | ELANEKDM4EALDH1A1TDP1LMNA | |
| SCHEMBL14671159 | 0.73 | KDM4E (0.40) | ELANEKDM4EALDH1A1TDP1GSK3B | |
| SCHEMBL29324709 | 0.72 | KDM4E (0.44) | ELANEHSD11B1KDM4EALDH1A1TDP1 | |
| SCHEMBL12635472 | 0.72 | ELANE (0.39) | ELANEHSD11B1KDM4EALDH1A1GSK3B |
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 |