Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL29943304 | 1.00 | DRD4 (0.32) | DRD4SIGMAR1DRD3DRD5SLC6A4 | |
| SCHEMBL23389135 | 1.00 | DRD4 (0.32) | DRD4SIGMAR1DRD3DRD5SLC6A4 | |
| SCHEMBL25994875 | 0.91 | DRD4 (0.32) | DRD4SIGMAR1DRD3DRD5SLC6A4 | |
| SCHEMBL25987671 | 0.85 | BTK (0.38) | DDR1 | |
| SCHEMBL23389183 | 0.79 | CYP19A1 (0.38) | DRD4SIGMAR1DRD3DRD5SLC6A4 | |
| SCHEMBL29943836 | 0.79 | CYP19A1 (0.38) | DRD4SIGMAR1DRD3DRD5SLC6A4 | |
| SCHEMBL25992430 | 0.73 | DRD4 (0.42) | DRD4SIGMAR1DRD3DRD5SLC6A4 | |
| SCHEMBL23389097 | 0.72 | ROCK2 (0.44) | DDR1 | |
| SCHEMBL23389100 | 0.72 | ROCK2 (0.44) | DDR1 | |
| SCHEMBL23389149 | 0.72 | BTK (0.37) | DDR1 |
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-2021102361-A1 | CASPASE 6 INHIBITORS AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-05-27 | — | — | WO | disclosed |