Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9737146 | 0.99 | KCNH2 (0.53) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL9737586 | 0.93 | KCNH2 (0.55) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9736963 | 0.91 | KCNH2 (0.54) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL9738000 | 0.90 | KCNH2 (0.53) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9736514 | 0.90 | KCNH2 (0.53) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9738723 | 0.90 | KCNH2 (0.57) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL9737160 | 0.89 | KCNH2 (0.56) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9737861 | 0.88 | KCNH2 (0.54) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9732998 | 0.88 | KCNH2 (0.54) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9736710 | 0.88 | KCNH2 (0.54) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5084463-A | Cardiovascular disorders | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-01-28 | — | — | US | claimed |
| US-5084463-A | Cardiovascular disorders | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-01-28 | — | — | US | disclosed |