Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | ACACA | Q13085 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 5/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL364285 | 0.97 | — | — | |
| SCHEMBL2151949 | 0.94 | ACLY (0.46) | ACLYACACBACACATSHRALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27774285 | 0.94 | ACLY (0.46) | ACLYACACBACACATSHRALDH1A1 | |
| Carbonotrithioic Acid SCHEMBL28987370 | 0.85 | ACLY (0.41) | ACLYACACBACACATSHRALDH1A1 | |
| SCHEMBL9837397 | 0.84 | ACLY (0.54) | ACLYACACBACACATSHRPPARA | |
| SCHEMBL320771 | 0.82 | ACLY (0.54) | ACLYACACBACACATSHRALDH1A1 | |
| SCHEMBL5075315 | 0.81 | ACLY (0.56) | ACLYACACBACACATSHRPPARA | |
| SCHEMBL8571217 | 0.79 | ACLY (0.59) | ACLYACACBACACATSHRPPARA | |
| SCHEMBL127297 | 0.78 | — | — | |
| SCHEMBL2590354 | 0.78 | ACLY (0.46) | ACLYACACBACACATSHRALDH1A1 |
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 |