Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.47 |
| ▸ | CA1 | P00915 | 8/20 | 0.47 |
| ▸ | CA9 | Q16790 | 7/20 | 0.47 |
| ▸ | CA12 | O43570 | 5/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25248892 | 0.87 | CYP2D6 (0.46) | CA2CA1CA9CA12CYP2D6 | |
| SCHEMBL25298637 | 0.85 | PPARA (0.47) | CA2CA1CA9CA12CYP2D6 | |
| SCHEMBL25290050 | 0.85 | CYP2D6 (0.45) | CA2CA1CA9CA12CA7 | |
| SCHEMBL25250103 | 0.85 | CYP2D6 (0.45) | CA2CA1CA9CA12CYP2D6 | |
| SCHEMBL25291305 | 0.85 | CYP2D6 (0.46) | CA2CA1CA9CA12CYP2D6 | |
| SCHEMBL25256244 | 0.85 | CNR1 (0.45) | CA2CA1CA9CA12CYP2D6 | |
| SCHEMBL25298169 | 0.85 | CYP2D6 (0.46) | CA2CA1CA9CA12CYP2D6 | |
| SCHEMBL3026698 | 0.81 | CYP2D6 (0.58) | CA2CA1CA9CA12CA7 | |
| SCHEMBL8903631 | 0.79 | CYP2D6 (0.53) | CA2CA1CA9CA12CYP2D6 | |
| SCHEMBL30490856 | 0.79 | ROCK1 (0.39) | CA2CA1CA9CA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023129564-A9 | DEGRADERS OF GRK2 AND USES THEREOF | CYGNAL THERAPEUTICS, INC. (US) | 2024-02-08 | — | — | WO | disclosed |
| WO-2023129564-A1 | DEGRADERS OF GRK2 AND USES THEREOF | CYGNAL THERAPEUTICS, INC. (US) | 2023-07-06 | — | — | WO | disclosed |