Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.38 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.38 |
| ▸ | GALR3 | O60755 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5796159 | 0.88 | ALDH1A1 (0.41) | ALDH1A1CHRM1CHRM5CHRM3SMN1; SMN2 | |
| SCHEMBL9835205 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CHRM1CHRM5CHRM3SMN1; SMN2 | |
| SCHEMBL11316006 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CHRM1CHRM5CHRM3SMN1; SMN2 | |
| SCHEMBL1114607 | 0.78 | ACLY (0.38) | ALDH1A1CYP4F2CYP4A11TDP1 | |
| SCHEMBL11075905 | 0.77 | ALDH1A1 (0.45) | ALDH1A1CHRM1CHRM5CHRM3SMN1; SMN2 | |
| SCHEMBL2635944 | 0.77 | ALDH1A1 (0.54) | ALDH1A1CHRM1CHRM5CHRM3SMN1; SMN2 | |
| SCHEMBL9826471 | 0.76 | ACLY (0.50) | ALDH1A1CHRM1SMN1; SMN2TSHRCYP4F2 | |
| SCHEMBL2988405 | 0.75 | CYP4F2 (0.36) | CYP4F2CYP4A11PPARATDP1 | |
| SCHEMBL21015362 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CHRM1CHRM5CHRM3SMN1; SMN2 | |
| SCHEMBL12368467 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CHRM1CHRM5CHRM3SMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0211416-B1 | NOVEL HMG-COA REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1991-10-16 | — | — | EP | disclosed |
| US-4851436-A | ANTICHOLESTEROL AND ANTILIPEMIC AGENTS | MERCK & CO., INC. (US) | 1989-07-25 | — | — | US | disclosed |
| US-4668699-A | 6-(NAPHTHYLETHYL)TETRAHYDROPYRAN-2-ONES; ANTILIPEMIC, ANTICHOLESTEROL | MERCK & CO., INC. (US) | 1987-05-26 | — | — | US | disclosed |
| US-4665091-A | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, ANTICHOLESTEROL | MERCK & CO., INC. (US) | 1987-05-12 | — | — | US | disclosed |
| EP-0211416-A2 | Novel HMG-CoA reductase inhibitors | MERCK & CO. INC. (US) | 1987-02-25 | — | — | EP | disclosed |