Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | RHOA | P61586 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | NEK2 | P51955 | 6/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30252012 | 0.79 | SCN9A (0.39) | SCN9ARHOAALDH1A1CYP1A2CLK4 | |
| SCHEMBL23884427 | 0.79 | SCN9A (0.39) | SCN9ARHOAALDH1A1CYP1A2CLK4 | |
| SCHEMBL23895840 | 0.77 | NOTUM (0.44) | SCN9ARHOAALDH1A1CYP1A2CLK4 | |
| SCHEMBL23896411 | 0.77 | NOTUM (0.44) | SCN9ARHOAALDH1A1CYP1A2CLK4 | |
| SCHEMBL23895838 | 0.77 | NOTUM (0.44) | SCN9ARHOAALDH1A1CYP1A2CLK4 | |
| SCHEMBL23906083 | 0.76 | DHODH (0.41) | ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL23906123 | 0.76 | SCN9A (0.38) | SCN9ACYP2C9CYP3A4 | |
| SCHEMBL23905555 | 0.74 | TNIK (0.42) | SCN9A | |
| SCHEMBL23884643 | 0.74 | NOTUM (0.40) | SCN9AALDH1A1CYP1A2CLK4HSD17B10 | |
| SCHEMBL23906194 | 0.74 | NOTUM (0.40) | SCN9AALDH1A1CYP1A2CLK4HSD17B10 |
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 |