Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.44 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 4/20 | 0.44 |
| ▸ | PPARG | P37231 | 3/20 | 0.44 |
| ▸ | PPARD | Q03181 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | 0.88 | PPARA (0.59) | ALDH1A1ALDH1A3MEN1CYP1A2CYP3A4 | |
| SCHEMBL6556046 | 0.87 | PDE4A (0.47) | ALDH1A1NPC1RAB9APPARAPPARG | |
| SCHEMBL6555785 | 0.83 | PPARA (0.55) | ALDH1A1MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6556015 | 0.83 | ALDH1A1 (0.56) | ALDH1A1MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6556142 | 0.83 | MEN1 (0.49) | ALDH1A1ALDH1A3MEN1CYP1A2CYP3A4 | |
| SCHEMBL6555819 | 0.81 | PPARG (0.52) | PPARAPPARGPPARDKCNH2HRH3 | |
| SCHEMBL6555796 | 0.81 | PPARA (0.53) | ALDH1A1NPC1RAB9APPARAPPARG | |
| SCHEMBL6555882 | 0.79 | MEN1 (0.52) | ALDH1A1ALDH1A3MEN1CYP1A2CYP3A4 | |
| SCHEMBL6555912 | 0.79 | PPARG (0.53) | ALDH1A1MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6555917 | 0.78 | ALDH1A1 (0.55) | 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 1 patent. 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 |