Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3641957 | 1.00 | PPARG (0.46) | PPARGPPARACES2CES1MAPT | |
| SCHEMBL850983 | 1.00 | PPARG (0.46) | PPARGPPARACES2CES1MAPT | |
| SCHEMBL24298278 | 1.00 | PPARG (0.46) | PPARGPPARACES2CES1MAPT | |
| SCHEMBL24298276 | 1.00 | PPARG (0.46) | PPARGPPARACES2CES1MAPT | |
| SCHEMBL24298675 | 0.89 | NR1H4 (0.43) | CTSSCTSKCA1CA2CA7 | |
| SCHEMBL24298151 | 0.89 | NR1H4 (0.43) | CTSSCTSKCA1CA2CA7 | |
| SCHEMBL24298671 | 0.89 | NR1H4 (0.43) | CTSSCTSKCA1CA2CA7 | |
| SCHEMBL24298866 | 0.89 | NR1H4 (0.43) | CTSSCTSKCA1CA2CA7 | |
| SCHEMBL24298676 | 0.89 | NR1H4 (0.43) | CTSSCTSKCA1CA2CA7 | |
| SCHEMBL24298863 | 0.89 | NR1H4 (0.43) | CTSSCTSKCA1CA2CA7 |
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-2022076621-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |