Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9835094 | 1.00 | LMNA (0.38) | LMNAALDH1A1SMN1; SMN2TSHRKEAP1 | |
| SCHEMBL10670285 | 0.84 | NPSR1 (0.42) | LMNAALDH1A1SMN1; SMN2TSHRHCAR2 | |
| SCHEMBL10670269 | 0.84 | NPSR1 (0.42) | LMNAALDH1A1SMN1; SMN2TSHRHCAR2 | |
| SCHEMBL11350460 | 0.84 | HCAR2 (0.42) | ALDH1A1SMN1; SMN2TSHRKEAP1NFE2L2 | |
| SCHEMBL17858890 | 0.79 | SMN1; SMN2 (0.38) | LMNAALDH1A1SMN1; SMN2TSHRKEAP1 | |
| SCHEMBL9299850 | 0.79 | SMN1; SMN2 (0.38) | ALDH1A1SMN1; SMN2TSHRKEAP1NFE2L2 | |
| SCHEMBL11571418 | 0.79 | KDM4E (0.48) | ALDH1A1SMN1; SMN2TSHRKEAP1NFE2L2 | |
| SCHEMBL7435242 | 0.79 | SMN1; SMN2 (0.38) | ALDH1A1SMN1; SMN2TSHRKEAP1NFE2L2 | |
| SCHEMBL9837160 | 0.77 | TSHR (0.45) | ALDH1A1TSHRHCAR2CYP3A4 | |
| SCHEMBL9837171 | 0.77 | TSHR (0.45) | ALDH1A1TSHRHCAR2CYP3A4 |
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 |