Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 6/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.50 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | RXRA | P19793 | 1/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
| ▸ | CCKAR | P32238 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14026609 | 0.87 | HMGCR (0.48) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL7142742 | 0.86 | HMGCR (0.47) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL3993339 | 0.86 | HMGCR (0.47) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL9764062 | 0.84 | CDC25A (0.44) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL10563970 | 0.83 | HMGCR (0.48) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL18947946 | 0.82 | HMGCR (0.44) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL18947945 | 0.82 | HMGCR (0.44) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL9301103 | 0.81 | MAPK14 (0.56) | KDM4EALDH1A1LMNASMN1; SMN2MAPK14 | |
| SCHEMBL3390057 | 0.81 | CYP2C9 (0.49) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL13428829 | 0.81 | HMGCR (0.46) | HMGCRCYP2C9SIRT6ABCC3ABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003083063-A2 | COMMON LIGAND MIMICS: NAPHTOATES | TRIAD THERAPEUTICS, INC. (US) | 2003-10-09 | — | — | WO | disclosed |
| US-5276021-A | Anticholesterol or antilipemic agents | E. R. SQUIBB & SONS, INC. (US) | 1994-01-04 | — | — | US | disclosed |
| US-5091378-A | Anticholesterol agents | E. R. SQUIBB & SONS, INC. (US) | 1992-02-25 | — | — | US | disclosed |
| US-4870199-A | FROM 3-HYDROXY-4-TRIPHENYLMETHOXYBUTANOIC ACID | SANDOZ PHARM. CORP. (US) | 1989-09-26 | — | — | US | disclosed |
| EP-0244364-A2 | Preparation of olefinic compounds | SANDOZ AG (CH) | 1987-11-04 | — | — | EP | disclosed |