Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2198611 | 0.89 | CYP2A6 (0.41) | CYP2A6KDM4ETSHRRORCPPARA | |
| SCHEMBL2258916 | 0.88 | CYP19A1 (0.37) | TSHRLMNASMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL2197776 | 0.87 | CYP2A6 (0.43) | CYP2A6KDM4ETSHRLMNASMN1; SMN2 | |
| SCHEMBL2197507 | 0.85 | PPARA (0.39) | CYP2A6TSHRRORCPPARALMNA | |
| SCHEMBL2195122 | 0.85 | PPARA (0.39) | CYP2A6TSHRRORCPPARALMNA | |
| SCHEMBL2201687 | 0.82 | CYP2A6 (0.44) | CYP2A6KDM4ETSHRLMNASMN1; SMN2 | |
| SCHEMBL2198138 | 0.79 | CYP2A6 (0.46) | CYP2A6KDM4ETSHRLMNASMN1; SMN2 | |
| SCHEMBL2197965 | 0.79 | KCNA5 (0.44) | TSHRLMNASMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL2229922 | 0.79 | KCNA5 (0.44) | CYP2A6KDM4ETSHRLMNASMN1; SMN2 | |
| SCHEMBL2199227 | 0.78 | CYP19A1 (0.36) | CYP2A6TSHRLMNASMN1; SMN2L3MBTL1 |
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-2008148859-A2 | FUNGICIDAL MIXTURES | BASF SE (DE) | 2008-12-11 | — | — | WO | disclosed |