Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | SLC18A3 | Q16572 | 4/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19956739 | 0.83 | DGAT1 (0.48) | DGAT1SLC18A3DRD2ESR2ESR1 | |
| SCHEMBL19956767 | 0.83 | DGAT1 (0.48) | DGAT1SLC18A3DRD2ESR2ESR1 | |
| SCHEMBL13557091 | 0.78 | DRD2 (0.41) | IDO1AKR1C3AKR1C1SLC18A3SIGMAR1 | |
| Hydrogen Peroxide SCHEMBL2353767 | 0.76 | SLC18A3 (0.64) | AKR1C3AKR1C1SLC18A3SIGMAR1NPC1 | |
| SCHEMBL28001674 | 0.76 | AKR1C3 (0.47) | AKR1C3AKR1C1SLC18A3SIGMAR1NPC1 | |
| SCHEMBL21925045 | 0.76 | — | — | |
| Phosphoric Acid SCHEMBL27640844 | 0.75 | SLC18A3 (0.49) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP2C9 | |
| SCHEMBL5756827 | 0.75 | ESR2 (0.68) | IDO1AKR1C3AKR1C1SLC18A3SIGMAR1 | |
| SCHEMBL10881534 | 0.75 | ESR2 (0.68) | IDO1AKR1C3AKR1C1SLC18A3SIGMAR1 | |
| SCHEMBL17729950 | 0.75 | ESR2 (0.68) | IDO1AKR1C3AKR1C1SLC18A3SIGMAR1 |
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-2805951-B1 | Inhibitors of diacylglycerol o-acyltransferase 1 (DGAT-1) and uses thereof | METABASIS THERAPEUTICS INC (US) | 2018-03-14 | — | — | EP | disclosed |