Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 14/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.56 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | RXRA | P19793 | 1/20 | 0.56 |
| ▸ | CCKAR | P32238 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.56 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | PDE6D | O43924 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9730553 | 1.00 | HMGCR (0.56) | HMGCRCYP2C9SIRT6PDE4DTBXA2R | |
| SCHEMBL9730006 | 0.90 | HMGCR (0.48) | HMGCRCYP2C9SIRT6PDE4DTBXA2R | |
| SCHEMBL9730002 | 0.90 | HMGCR (0.48) | HMGCRCYP2C9SIRT6PDE4DTBXA2R | |
| SCHEMBL9731305 | 0.88 | HMGCR (0.59) | HMGCRCYP2C9SIRT6PDE4DTBXA2R | |
| SCHEMBL9731310 | 0.88 | HMGCR (0.59) | HMGCRCYP2C9SIRT6PDE4DTBXA2R | |
| SCHEMBL10396849 | 0.78 | HMGCR (0.77) | HMGCRCYP2C9SIRT6PDE4DTBXA2R | |
| SCHEMBL10396848 | 0.78 | HMGCR (0.77) | HMGCRCYP2C9SIRT6PDE4DTBXA2R | |
| SCHEMBL9729969 | 0.77 | HMGCR (0.52) | HMGCRCYP2C9SIRT6PDE4DTBXA2R | |
| SCHEMBL9729978 | 0.77 | HMGCR (0.52) | HMGCRCYP2C9SIRT6PDE4DTBXA2R | |
| SCHEMBL9730310 | 0.77 | HMGCR (0.47) | HMGCRCYP2C9SIRT6PDE4DTBXA2R |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5081136-A | 1,2,3-TRIAZOLE COMPOUNDS ACTIVE AS INHIBITORS OF THE ENZYME HMG-COA REDUCTASE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ZAMBON GROUP S.P.A. (IT) | 1992-01-14 | — | — | US | disclosed |
| EP-0433842-A2 | 1,2,3-Triazole derivatives active as inhibitors of the enzyme HMG-COA reductase and pharmaceutical compositions containing them | ZAMBON GROUP S.p.A. (IT) | 1991-06-26 | — | — | EP | disclosed |