Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 3/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | AOC1 | P19801 | 3/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22970296 | 0.74 | CYP2E1 (0.34) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL22695139 | 0.73 | TRPA1 (0.35) | CYP2A6CYP1A2CYP3A4LMNATRPA1 | |
| SCHEMBL877689 | 0.73 | CYP2E1 (0.48) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL31651986 | 0.72 | — | — | |
| SCHEMBL10268296 | 0.72 | — | — | |
| SCHEMBL11564155 | 0.72 | CYP2E1 (0.47) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| Hydrochloric Acid SCHEMBL11467876 | 0.71 | CYP2E1 (0.43) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL13170477 | 0.70 | SIGMAR1 (0.44) | CYP2D6CYP2C9CYP3A4L3MBTL1 | |
| SCHEMBL212818 | 0.70 | — | — | |
| SCHEMBL30335585 | 0.70 | — | — |
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-3318561-B1 | HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC (US) | 2021-12-22 | — | — | EP | disclosed |