Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.57 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL21328352 | 0.91 | CA1 (0.78) | CA1CA2ALDH1A1POLB | |
| SCHEMBL4024309 | 0.91 | KMT2A (0.80) | MEN1KMT2AALDH1A1POLB | |
| SCHEMBL1915903 | 0.90 | MEN1 (0.70) | MEN1KMT2ACA1CA2ALOX5 | |
| SCHEMBL2378930 | 0.87 | MEN1 (0.65) | MEN1KMT2AALOX5OR51E2 | |
| SCHEMBL25512198 | 0.85 | ALOX5 (0.80) | ALDH1A1POLBALOX5OR51E2 | |
| SCHEMBL2376785 | 0.85 | MEN1 (0.67) | MEN1KMT2AALDH1A1ALOX5OR51E2 | |
| SCHEMBL14432087 | 0.84 | KMT2A (0.66) | MEN1KMT2AALDH1A1ALOX5OR51E2 | |
| SCHEMBL9921169 | 0.82 | MEN1 (0.60) | MEN1KMT2AALOX5OR51E2 | |
| SCHEMBL11948294 | 0.81 | CA1 (0.74) | MEN1KMT2ACA1CA2ALDH1A1 | |
| SCHEMBL24528927 | 0.81 | MTNR1A (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2347754-B1 | Oral and tooth care and cleaning agents with alkylpyridinium salts I | HENKEL AG & CO KGAA (DE) | 2018-01-24 | — | — | EP | disclosed |