Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL9835217 | 1.00 | ALDH1A1 (0.39) | ALDH1A1LMNATET2EGLN1HRH4 | |
| SCHEMBL13258963 | 0.75 | — | — | |
| SCHEMBL17499010 | 0.73 | TET2 (0.37) | ALDH1A1TET2EGLN1 | |
| SCHEMBL10986277 | 0.70 | KDM4E (0.35) | ALDH1A1 | |
| SCHEMBL273387 | 0.70 | — | — | |
| SCHEMBL22856384 | 0.69 | EPHX1 (0.37) | ALDH1A1LMNAHRH4HRH3 | |
| SCHEMBL22143627 | 0.68 | GLO1 (0.35) | ALDH1A1LMNAEGLN1 | |
| SCHEMBL14621157 | 0.68 | SMN1; SMN2 (0.40) | ALDH1A1LMNA | |
| SCHEMBL9835094 | 0.68 | LMNA (0.38) | ALDH1A1LMNAHRH4HRH3PKM | |
| SCHEMBL9835100 | 0.68 | LMNA (0.38) | ALDH1A1LMNAHRH4HRH3PKM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0234776-B1 | PROCESS FOR 1,4-DIHYDROPYRIDINE COMPOUNDS | MERCK & CO. INC. (US) | 1991-09-04 | — | — | EP | disclosed |
| US-4780538-A | REACTING AN AMINOALKENOATE WITH AN AROMATIC ALDEHYDE USING AN TITANAMINE CATALYST | MERCK & CO., INC. (US) | 1988-10-25 | — | — | US | disclosed |
| EP-0234776-A2 | Process for 1,4-dihydropyridine compounds | MERCK & CO. INC. (US) | 1987-09-02 | — | — | EP | disclosed |