Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.54 |
| ▸ | ACACB | O00763 | 1/20 | 0.52 |
| ▸ | ACACA | Q13085 | 1/20 | 0.52 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.48 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 7/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5075315 | 0.97 | ACLY (0.56) | ACLYACACBACACACYP4F2CYP4A11 | |
| SCHEMBL8571217 | 0.95 | ACLY (0.59) | ACLYACACBACACACYP4F2CYP4A11 | |
| SCHEMBL6692276 | 0.93 | ACLY (0.63) | ACLYACACBACACACYP4F2CYP4A11 | |
| SCHEMBL28606082 | 0.93 | ACLY (0.63) | ACLYACACBACACACYP4F2CYP4A11 | |
| SCHEMBL28369873 | 0.93 | ACLY (0.63) | ACLYACACBACACACYP4F2CYP4A11 | |
| SCHEMBL6699125 | 0.93 | ACLY (0.63) | ACLYACACBACACACYP4F2CYP4A11 | |
| 1,6-Hexanediol SCHEMBL11319932 | 0.85 | ACLY (0.55) | ACLYACACBACACACYP4F2CYP4A11 | |
| SCHEMBL9837458 | 0.84 | ACLY (0.46) | ACLYACACBACACACYP4F2CYP4A11 | |
| SCHEMBL2784372 | 0.84 | ACLY (0.62) | ACLYACACBACACAPPARATBXAS1 | |
| SCHEMBL7222208 | 0.84 | ACLY (0.70) | ACLYACACBACACACYP4F2CYP4A11 |
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 |