Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 12/20 | 0.60 |
| ▸ | PPARA | Q07869 | 12/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.60 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.51 |
| ▸ | PPARD | Q03181 | 5/20 | 0.50 |
| ▸ | MME | P08473 | 1/20 | 0.50 |
| ▸ | ACE | P12821 | 1/20 | 0.50 |
| ▸ | CPA1 | P15085 | 1/20 | 0.50 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL620307 | 0.85 | CYP1A2 (0.64) | PPARGPPARAEPHX2PPARDCPA1 | |
| SCHEMBL10356762 | 0.84 | LDHA (0.60) | PPARGPPARAEPHX2FFAR1PPARD | |
| SCHEMBL9081822 | 0.82 | CYP1A2 (0.71) | PPARGPPARAEPHX2FFAR1PPARD | |
| Acetamide SCHEMBL7277641 | 0.80 | CYP1A2 (0.56) | PPARGPPARAEPHX2PPARDCPA1 | |
| SCHEMBL7324604 | 0.79 | MME (0.50) | PPARGPPARAMMEACECPA1 | |
| SCHEMBL7333189 | 0.78 | PPARG (0.49) | PPARGPPARAEPHX2PPARDMME | |
| SCHEMBL9577446 | 0.78 | PPARG (0.56) | PPARGPPARAEPHX2PPARDCYP1A2 | |
| SCHEMBL9231272 | 0.77 | PPARG (0.55) | PPARGPPARAEPHX2FFAR1PPARD | |
| Diphenylether SCHEMBL3551621 | 0.77 | PPARA (0.56) | PPARGPPARAEPHX2FFAR1PPARD | |
| SCHEMBL28658560 | 0.75 | PPARG (1.00) | PPARGPPARAEPHX2PPARD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4472380-A | CARBOXYALKYL DIPEPTIDE DERIVATIVES | MERCK & CO., INC. (US) | 1984-09-18 | — | — | US | disclosed |
| US-4374829-A | Aminoacid derivatives as antihypertensives | MERCK & CO., INC. (US) | 1983-02-22 | — | — | US | disclosed |
| EP-0012401-A1 | Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them | MERCK & CO. INC. (US) | 1980-06-25 | — | — | EP | disclosed |