Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | PPARA | Q07869 | 12/20 | 0.47 |
| ▸ | ACLY | P53396 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.46 |
| ▸ | ACACA | Q13085 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.45 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL9826471 | 0.94 | ACLY (0.50) | ALDH1A1PPARAACLYACACBACACA | |
| SCHEMBL292372 | 0.87 | ALDH1A1 (0.43) | ALDH1A1PPARAACLYACACBACACA | |
| SCHEMBL9837626 | 0.82 | ALDH1A1 (0.48) | ALDH1A1PPARACHRM1TSHRSMN1; SMN2 | |
| SCHEMBL3685382 | 0.81 | TSHR (0.53) | ALDH1A1PPARAACLYACACBACACA | |
| SCHEMBL11316006 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CHRM1TSHRSMN1; SMN2PGR | |
| SCHEMBL5528996 | 0.80 | ACLY (0.52) | PPARAACLYACACBACACACHRM1 | |
| SCHEMBL11075905 | 0.79 | ALDH1A1 (0.45) | ALDH1A1PPARAACLYACACBACACA | |
| SCHEMBL6255729 | 0.78 | PPARA (0.50) | PPARAACLYACACBACACACHRM1 | |
| SCHEMBL6255723 | 0.78 | PPARA (0.50) | PPARAACLYACACBACACACHRM1 | |
| SCHEMBL6202308 | 0.78 | PPARA (0.50) | ALDH1A1PPARAACLYACACBACACA |
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 |