Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL23247375 | 0.89 | PTPN11 (0.36) | PTPN11CYP3A4DRD2SLC6A2HTR2A | |
| SCHEMBL23263338 | 0.89 | PTPN11 (0.36) | PTPN11CYP3A4DRD2SLC6A2HTR2A | |
| SCHEMBL23247795 | 0.80 | PTPN11 (0.34) | PTPN11 | |
| SCHEMBL23247749 | 0.80 | PTPN11 (0.41) | PTPN11BRD4L3MBTL1 | |
| SCHEMBL23247677 | 0.74 | PTPN11 (0.35) | PTPN11CYP3A4DRD2SLC6A2HTR2A | |
| SCHEMBL23262716 | 0.73 | — | — | |
| SCHEMBL23247061 | 0.73 | PTPN11 (0.34) | PTPN11CYP3A4DRD2SLC6A2HTR2A | |
| SCHEMBL23248027 | 0.72 | ACACB (0.38) | — | |
| SCHEMBL23263296 | 0.70 | ACACB (0.37) | — | |
| SCHEMBL23262723 | 0.70 | MAP3K12 (0.36) | — |
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-2021074279-A1 | SPIRO-FUSED TRICYCLIC MAP4K1 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-22 | — | — | WO | disclosed |