Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | GCGR | P47871 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 8/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TOP1 | P11387 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23895813 | 1.00 | LRRK2 (0.37) | LRRK2BCL2L1MCL1ESR1ESR2 | |
| SCHEMBL23895814 | 1.00 | LRRK2 (0.37) | LRRK2BCL2L1MCL1ESR1ESR2 | |
| SCHEMBL23895820 | 0.89 | TRPV3 (0.35) | BCL2L1MCL1ESR1ESR2PDE10A | |
| SCHEMBL25544155 | 0.89 | TRPV3 (0.35) | BCL2L1MCL1ESR1ESR2PDE10A | |
| SCHEMBL23896209 | 0.88 | SCN9A (0.39) | LRRK2BCL2L1MCL1ESR1ESR2 | |
| SCHEMBL23896210 | 0.88 | SCN9A (0.39) | LRRK2BCL2L1MCL1ESR1ESR2 | |
| SCHEMBL23896364 | 0.86 | LRRK2 (0.38) | LRRK2ESR1ESR2GCGRTOP1 | |
| SCHEMBL23895812 | 0.86 | LRRK2 (0.38) | LRRK2ESR1ESR2GCGRTOP1 | |
| SCHEMBL23887804 | 0.83 | TOP1 (0.37) | LRRK2ESR1ESR2GCGRTOP1 | |
| SCHEMBL30121102 | 0.83 | TOP1 (0.37) | LRRK2ESR1ESR2GCGRTOP1 |
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 |