Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 4/20 | 0.37 |
| ▸ | DRD3 | P35462 | 4/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24870157 | 0.75 | ESR1 (0.31) | ESR1 | |
| SCHEMBL30551050 | 0.74 | CYP2D6 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25323061 | 0.74 | CYP2D6 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25323055 | 0.74 | CYP2D6 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25324704 | 0.74 | DRD2 (0.58) | ESR1DRD3DRD2 | |
| SCHEMBL12549158 | 0.74 | PARP1 (0.43) | ESR1DRD3DRD2 | |
| SCHEMBL216072 | 0.72 | ATAD2 (0.41) | DRD3DRD2 | |
| SCHEMBL20883965 | 0.71 | ESR1 (0.39) | ESR1DRD3DRD2SLC6A2SLC6A4 | |
| SCHEMBL24039955 | 0.70 | DRD1 (0.58) | ESR1DRD3DRD2KCNH2 | |
| SCHEMBL20883715 | 0.70 | CYP3A4 (0.44) | ESR1 |
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-2023281417-A1 | PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS | GLENMARK SPECIALTY S.A. (CH) | 2023-01-12 | — | — | WO | disclosed |