Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 8/20 | 0.41 |
| ▸ | SLC9A3 | P48764 | 2/20 | 0.33 |
| ▸ | CCR2 | P41597 | 2/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29096212 | 0.84 | CCR2 (0.33) | SLC9A3CCR2EPAS1PTGS1PTGS2 | |
| SCHEMBL16555579 | 0.72 | PTGS2 (0.42) | CCR2EPAS1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL30856884 | 0.70 | EPAS1 (0.66) | EPAS1 | |
| SCHEMBL19865270 | 0.70 | CCR2 (0.33) | CCR2EPAS1 | |
| SCHEMBL2484767 | 0.69 | ACHE (0.44) | ACHE | |
| SCHEMBL27135587 | 0.69 | EPAS1 (0.39) | CCR2EPAS1PTGS1PTGS2 | |
| SCHEMBL26983105 | 0.69 | EPAS1 (0.39) | CCR2EPAS1PTGS1PTGS2 | |
| SCHEMBL26991191 | 0.68 | CCR2 (0.36) | CCR2EPAS1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL26504068 | 0.68 | EPAS1 (0.33) | EPAS1 | |
| SCHEMBL30697311 | 0.68 | EPAS1 (0.33) | EPAS1 |
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-2024010785-A1 | KETOREDUCTASE ENZYMES FOR THE SYNTHESIS OF 1,3-DIOL SUBSTITUTED INDANES | MERCK SHARP & DOHME LLC (US) | 2024-01-11 | — | — | WO | disclosed |
| WO-2018031680-A1 | NOVEL COMPOUNDS, USES AND METHODS FOR THEIR PREPARATION | FRONTHERA U.S. PHARMACEUTICALS LLC (US) | 2018-02-15 | — | — | WO | disclosed |