Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGM | P11217 | 3/20 | 0.46 |
| ▸ | PYGL | P06737 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9836195 | 0.87 | LMNA (0.53) | PYGMPYGLKDM4EGAALMNA | |
| SCHEMBL16178523 | 0.76 | KDM4E (0.66) | PYGMPYGLKDM4EGAALMNA | |
| SCHEMBL9033367 | 0.75 | PYGM (0.52) | PYGMPYGLKDM4EGAALMNA | |
| SCHEMBL11752332 | 0.74 | PYGM (0.49) | PYGMPYGLKDM4EGAALMNA | |
| SCHEMBL7328503 | 0.72 | CNR1 (0.44) | PYGMPYGLKDM4EGAALMNA | |
| SCHEMBL9833247 | 0.70 | CACNA1B (0.59) | PYGMPYGLLMNACACNA1BPOLB | |
| SCHEMBL9836701 | 0.70 | KMT2A (0.49) | KDM4EGAALMNARECQLAPOBEC3A | |
| SCHEMBL9033145 | 0.69 | POLB (0.54) | PYGMPYGLKDM4EGAALMNA | |
| SCHEMBL9505359 | 0.69 | KDM4E (0.49) | PYGMPYGLKDM4EGAALMNA | |
| SCHEMBL11752325 | 0.69 | KDM4E (0.52) | PYGMPYGLKDM4EGAALMNA |
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 4 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 |
| US-4721708-A | CYCLICATION WITH LEWIS ACIDS | MERCK & CO., INC. (US) | 1988-01-26 | — | — | US | disclosed |
| EP-0234776-A2 | Process for 1,4-dihydropyridine compounds | MERCK & CO. INC. (US) | 1987-09-02 | — | — | EP | disclosed |