Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 9/20 | 0.60 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.60 |
| ▸ | ESR1 | P03372 | 1/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.60 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | PDE6D | O43924 | 1/20 | 0.49 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.49 |
| ▸ | CCKAR | P32238 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9872399 | 1.00 | HMGCR (0.60) | HMGCRTBXA2RADRA1AESR1CHRM1 | |
| SCHEMBL13848011 | 0.85 | HMGCR (0.73) | HMGCRTBXA2RADRA1AESR1CHRM1 | |
| SCHEMBL14108178 | 0.83 | HMGCR (0.71) | HMGCRTBXA2RADRA1AESR1CHRM1 | |
| SCHEMBL22048807 | 0.83 | HMGCR (0.81) | HMGCRTBXA2RADRA1AESR1CHRM1 | |
| SCHEMBL9871355 | 0.82 | HMGCR (0.51) | HMGCRTBXA2RADRA1AESR1CHRM1 | |
| SCHEMBL9871365 | 0.82 | HMGCR (0.51) | HMGCRTBXA2RADRA1AESR1CHRM1 | |
| SCHEMBL19080654 | 0.81 | HMGCR (0.84) | HMGCRTBXA2RADRA1AESR1CHRM1 | |
| SCHEMBL3242442 | 0.81 | HMGCR (0.70) | HMGCRTBXA2RADRA1AESR1CHRM1 | |
| SCHEMBL13524830 | 0.81 | HMGCR (0.81) | HMGCRTBXA2RADRA1AESR1CHRM1 | |
| SCHEMBL9152093 | 0.79 | HMGCR (0.75) | HMGCRTBXA2RADRA1AESR1CHRM1 |
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-4997837-A | Enzyme inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-03-05 | — | — | US | disclosed |
| US-4906624-A | 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis | WARNER-LAMBERT COMPANY (US) | 1990-03-06 | — | — | US | disclosed |