Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | TEK | Q02763 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.31 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.30 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.30 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.30 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.30 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.30 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.30 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.30 |
| ▸ | PORCN | Q9H237 | 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 | |
|---|---|---|---|---|
| SCHEMBL23896376 | 0.82 | RXRA (0.41) | RXRANR4A2PDE10ALOXL2HAO1 | |
| SCHEMBL23906193 | 0.82 | MAP4K4 (0.34) | ADORA2A | |
| SCHEMBL30252022 | 0.80 | PDE10A (0.39) | RXRANR4A2PDE10AHAO1ROCK1 | |
| SCHEMBL23906122 | 0.80 | PDE10A (0.39) | RXRANR4A2PDE10AHAO1ROCK1 | |
| SCHEMBL25544736 | 0.70 | RXRA (0.43) | RXRANR4A2PTGER4 | |
| SCHEMBL23888012 | 0.69 | RXRA (0.42) | RXRANR4A2PTGER4 | |
| SCHEMBL23906133 | 0.69 | RXRA (0.43) | RXRANR4A2PIN1PTGER4 | |
| SCHEMBL23905518 | 0.68 | CHEK2 (0.38) | PIN1PTGER4 | |
| SCHEMBL23906056 | 0.65 | GCGR (0.41) | — | |
| SCHEMBL23905458 | 0.64 | PTGER4 (0.41) | RXRANR4A2HAO1ROCK1PTGER4 |
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 |