Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | PPARA | Q07869 | 6/20 | 0.55 |
| ▸ | PPARG | P37231 | 5/20 | 0.55 |
| ▸ | PPARD | Q03181 | 5/20 | 0.55 |
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL6556021 | 0.95 | PPARA (0.59) | ALDH1A1MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6555917 | 0.93 | ALDH1A1 (0.55) | ALDH1A1MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6555785 | 0.93 | PPARA (0.55) | ALDH1A1MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6556142 | 0.88 | MEN1 (0.49) | ALDH1A1MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6555796 | 0.87 | PPARA (0.53) | ALDH1A1PPARAPPARGPPARDGAA | |
| SCHEMBL6555882 | 0.87 | MEN1 (0.52) | ALDH1A1MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6555791 | 0.86 | PPARA (0.49) | PPARAPPARGPPARDGAACXCR3 | |
| SCHEMBL6555825 | 0.85 | PPARA (0.61) | PPARAPPARGPPARD | |
| SCHEMBL6557745 | 0.84 | PPARA (0.55) | MEN1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6556149 | 0.83 | ALDH1A1 (0.48) | ALDH1A1MEN1CYP1A2CYP3A4CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1073643-B1 | NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | REDDYS LAB LTD DR (IN) | 2004-12-29 | — | — | EP | claimed |
| EP-1073643-A2 | NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2001-02-07 | — | — | EP | claimed |
| WO-1999008501-A2 | NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 1999-02-25 | — | — | WO | claimed |
| EP-1073643-B1 | NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | REDDYS LAB LTD DR (IN) | 2004-12-29 | — | — | EP | disclosed |
| EP-1073643-A2 | NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999008501-A2 | NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 1999-02-25 | — | — | WO | disclosed |