Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | DDO | Q99489 | 1/20 | 0.57 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL51830 | 0.88 | HCAR2 (0.70) | CYP2C9CYP2C19HCAR2POLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL1117746 | 0.85 | HCAR2 (0.67) | CYP2C9CYP2C19HCAR2POLBALDH1A1 | |
| Bromide SCHEMBL21332093 | 0.85 | HCAR2 (0.67) | CYP2C9CYP2C19HCAR2POLBALDH1A1 | |
| Fluoride SCHEMBL21331909 | 0.85 | HCAR2 (0.67) | CYP2C9CYP2C19HCAR2POLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL7124062 | 0.85 | HCAR2 (0.67) | CYP2C9CYP2C19HCAR2POLBALDH1A1 | |
| SCHEMBL19987838 | 0.85 | HCAR2 (0.67) | CYP2C9CYP2C19HCAR2POLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL7661020 | 0.85 | HCAR2 (0.67) | CYP2C9CYP2C19HCAR2POLBALDH1A1 | |
| Acetic Acid SCHEMBL28240357 | 0.84 | HCAR2 (0.65) | CYP2C9CYP2C19HCAR2POLBALDH1A1 | |
| Butane SCHEMBL27893070 | 0.83 | TPMT (0.55) | CYP2C9CYP2C19ALDH1A1KDM4EMEN1 | |
| SCHEMBL433567 | 0.82 | HCAR2 (0.63) | CYP2C9CYP2C19HCAR2POLBALDH1A1 |
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-4497808-A | N-Oxide compounds useful in the treatment of cardiovascular ailments | CIBA-GEIGY CORPORATION (US) | 1985-02-05 | — | — | US | disclosed |