Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.83 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 4/20 | 0.50 |
| ▸ | MAOA | P21397 | 3/20 | 0.50 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | UNG | P13051 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4290 | 0.91 | — | — | |
| SCHEMBL17231887 | 0.91 | ALDH1A1 (1.00) | ALDH1A1HSD17B3MAOBMAOASLC6A19 | |
| SCHEMBL29391648 | 0.91 | — | — | |
| Bromide SCHEMBL5484440 | 0.89 | ALDH1A1 (0.95) | ALDH1A1HSD17B3MAOBMAOASLC6A19 | |
| Ethylene SCHEMBL10571152 | 0.87 | ALDH1A1 (0.91) | ALDH1A1HSD17B3MAOBMAOASLC6A19 | |
| Formaldehyde SCHEMBL27903513 | 0.87 | ALDH1A1 (0.91) | ALDH1A1HSD17B3MAOBMAOASLC6A19 | |
| SCHEMBL699462 | 0.87 | HSD17B3 (0.65) | ALDH1A1HSD17B3MAOBMAOASLC6A19 | |
| SCHEMBL8900441 | 0.87 | HSD17B3 (0.65) | ALDH1A1HSD17B3MAOBMAOASLC6A19 | |
| SCHEMBL709614 | 0.87 | HSD17B3 (0.65) | ALDH1A1HSD17B3MAOBMAOASLC6A19 | |
| SCHEMBL7579176 | 0.83 | ALDH1A1 (0.83) | ALDH1A1HSD17B3MAOBMAOABACE1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6555577-B1 | For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example | NOVO NORDISK A/S (DE) | 2003-04-29 | — | — | US | disclosed |