Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PTGIR | P43119 | 2/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.39 |
| ▸ | GCG | P01275 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11289885 | 0.97 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL11295980 | 0.96 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL11329851 | 0.88 | ADRA2C (0.46) | ALDH1A1SMN1; SMN2PTGIRADRA2CFFAR1 | |
| SCHEMBL11322947 | 0.88 | HCRTR1 (0.39) | SMN1; SMN2S1PR1ADRA2CLTB4RFABP3 | |
| SCHEMBL11328407 | 0.85 | ALOX5 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL11338014 | 0.83 | SMN1; SMN2 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL11340956 | 0.82 | SMN1; SMN2 (0.41) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL11326646 | 0.82 | PTGIR (0.55) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL11320422 | 0.81 | SMN1; SMN2 (0.43) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL11298324 | 0.80 | CYP3A4 (0.43) | CYP3A4SMN1; SMN2LTB4R |
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-4243678-A | GASTROINTESTINAL DISORDERS, LIVER DISORDERS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1981-01-06 | — | — | US | disclosed |