Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL25321980 | 0.88 | KDM4E (0.33) | ALDH1A1PTGS1PTGS2 | |
| SCHEMBL25318523 | 0.85 | — | — | |
| SCHEMBL25317388 | 0.84 | — | — | |
| SCHEMBL25320409 | 0.84 | CASR (0.35) | PTGS1PTGS2 | |
| SCHEMBL30986508 | 0.78 | TDP1 (0.34) | ALDH1A1PTGS1PTGS2 | |
| SCHEMBL25319677 | 0.76 | HTT (0.34) | ALDH1A1 | |
| SCHEMBL25318412 | 0.74 | HTT (0.46) | ALDH1A1PTGS2 | |
| SCHEMBL25949117 | 0.74 | ALDH1A1 (0.34) | ALDH1A1PTGS1PTGS2 | |
| SCHEMBL25317254 | 0.72 | MEN1 (0.32) | — | |
| SCHEMBL31416710 | 0.72 | PDE2A (0.32) | ALDH1A1 |
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-2023139085-A1 | NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2023-07-27 | — | — | WO | disclosed |