Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 5/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.31 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | CCKAR | P32238 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9421048 | 1.00 | HMGCR (0.33) | HMGCRMMP12MMP13CYP2C9NR4A2 | |
| SCHEMBL9421045 | 1.00 | HMGCR (0.33) | HMGCRMMP12MMP13CYP2C9NR4A2 | |
| SCHEMBL9421089 | 0.86 | — | — | |
| SCHEMBL9421086 | 0.86 | — | — | |
| SCHEMBL9421094 | 0.86 | — | — | |
| SCHEMBL9421065 | 0.73 | — | — | |
| SCHEMBL1235245 | 0.72 | CYP1A2 (0.31) | CYP2C9 | |
| SCHEMBL9421101 | 0.71 | — | — | |
| SCHEMBL9421106 | 0.71 | — | — | |
| SCHEMBL9421103 | 0.69 | MMP12 (0.42) | HMGCRMMP12MMP13CYP2C9NR4A2 |
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-5332857-A | 3,5-dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents | PFIZER INC. (US) | 1994-07-26 | — | — | US | disclosed |
| US-5151545-A | 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS | PFIZER INC. (US) | 1992-09-29 | — | — | US | disclosed |