Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGAV | P06756 | 2/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | PTGFR | P43088 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4562510 | 0.75 | MEN1 (0.45) | ALOX5PPARGPPARASLC6A2SLC6A3 | |
| M-Xylene SCHEMBL28029951 | 0.74 | TAS1R3 (0.48) | TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22867763 | 0.72 | FFAR1 (0.45) | TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6960077 | 0.72 | KIF11 (0.40) | ALOX5PPARGPPARASMN1; SMN2LMNA | |
| SCHEMBL9109127 | 0.71 | ALOX5 (0.48) | ALOX5PPARGPPARAALDH1A1MAPT | |
| SCHEMBL11599874 | 0.70 | LMNA (0.41) | ALOX5PPARGPPARAMAPTSMN1; SMN2 | |
| SCHEMBL7376137 | 0.70 | ALDH1A1 (0.44) | ALOX5PPARGPPARAALDH1A1MAPT | |
| SCHEMBL9738451 | 0.70 | HPGD (0.37) | TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4562509 | 0.70 | TAS1R3 (0.40) | TAS1R3TAS1R1FFAR1ITGB3ITGAV | |
| SCHEMBL27804817 | 0.69 | SMN1; SMN2 (0.40) | ALOX5PPARGPPARAFFAR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021003295-A1 | MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF | REGENERON PHARMACEUTICALS, INC. (US) | 2021-01-07 | — | — | WO | disclosed |