Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6379163 | 0.93 | KCNH2 (0.63) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6384321 | 0.91 | KCNH2 (0.61) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6378347 | 0.91 | KCNH2 (0.64) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6379167 | 0.88 | KCNH2 (0.58) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6381970 | 0.87 | KCNH2 (0.63) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6378418 | 0.77 | KCNH2 (0.62) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6378957 | 0.77 | KCNH2 (0.55) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4217056 | 0.77 | KCNH2 (0.88) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4214577 | 0.77 | KCNH2 (0.88) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6442762 | 0.77 | KCNH2 (0.61) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1436258-A4 | PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS | UNIV EMORY (US) | 2005-03-23 | — | — | EP | disclosed |
| EP-1436258-A2 | PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS | Emory University (US) | 2004-07-14 | — | — | EP | disclosed |
| WO-2002072542-A2 | PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS | EMORY UNIVERSITY (US) | 2002-09-19 | — | — | WO | disclosed |