Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4975059 | 1.00 | IDO1 (0.49) | IDO1FFAR4CYP2C9ESR2DGAT1 | |
| SCHEMBL5761802 | 0.86 | IDO1 (0.46) | IDO1FFAR4CYP2C9ESR2DGAT1 | |
| SCHEMBL4976344 | 0.86 | IDO1 (0.46) | IDO1FFAR4CYP2C9ESR2DGAT1 | |
| SCHEMBL27809490 | 0.83 | IDO1 (0.49) | IDO1CYP2C9ESR2DGAT1ALDH1A1 | |
| SCHEMBL28002072 | 0.81 | IDO1 (0.61) | IDO1DGAT1SOAT1 | |
| Bicarbonate SCHEMBL1719769 | 0.78 | IDO1 (0.51) | IDO1CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL8997300 | 0.78 | DRD2 (0.54) | IDO1CYP2C9ESR2ALDH1A1MAPT | |
| SCHEMBL8997297 | 0.78 | DRD2 (0.54) | IDO1CYP2C9ESR2ALDH1A1MAPT | |
| SCHEMBL12209860 | 0.77 | AKR1C3 (0.50) | FFAR4 | |
| SCHEMBL27616065 | 0.77 | DRD2 (0.67) | DRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1646383-A4 | DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR | BETHESDA PHARMACEUTICALS INC (US) | 2009-03-25 | — | — | EP | disclosed |
| EP-1646383-A1 | DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR | Bethesda Pharmaceuticals, Inc. (US) | 2006-04-19 | — | — | EP | disclosed |
| WO-2005009437-A1 | DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR | BETHESDA PHARMACEUTICALS, INC. (US) | 2005-02-03 | — | — | WO | disclosed |