Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 2/20 | 0.32 |
| ▸ | EP300 | Q09472 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5229314 | 1.00 | KCNH2 (0.50) | KCNH2CYP3A4RORCCYP2C9CYP2D6 | |
| SCHEMBL5227177 | 0.88 | KCNH2 (0.48) | KCNH2CYP3A4RORCCYP2C9CYP2D6 | |
| SCHEMBL5228883 | 0.83 | KCNH2 (0.53) | KCNH2CYP3A4RORCCYP2C9CYP2D6 | |
| SCHEMBL5225752 | 0.82 | KCNH2 (0.51) | KCNH2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL508951 | 0.80 | KCNH2 (0.51) | KCNH2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL5229447 | 0.80 | KCNH2 (0.48) | KCNH2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL5225976 | 0.79 | KCNH2 (0.49) | KCNH2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL5228111 | 0.79 | KCNH2 (0.53) | KCNH2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL508578 | 0.79 | KCNH2 (0.53) | KCNH2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL508351 | 0.78 | KCNH2 (0.47) | KCNH2CYP3A4RORCCYP2C9CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1377556-B1 | PYRAZOLE DERIVATIVES FOR TREATING HIV | PFIZER LTD (GB) | 2007-04-04 | — | — | EP | claimed |