Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16277278 | 1.00 | CYP2C9 (0.47) | CYP2C9CYP1A2CYP2C19KEAP1NFE2L2 | |
| SCHEMBL16277451 | 1.00 | CYP2C9 (0.47) | CYP2C9CYP1A2CYP2C19KEAP1NFE2L2 | |
| SCHEMBL14563296 | 0.79 | CYP1A2 (0.51) | CYP2C9CYP1A2CYP2C19KEAP1NFE2L2 | |
| SCHEMBL15672061 | 0.79 | CYP1A2 (0.51) | CYP2C9CYP1A2CYP2C19KEAP1NFE2L2 | |
| Hydrochloric Acid SCHEMBL5426189 | 0.78 | CYP1A2 (0.50) | CYP2C9CYP1A2CYP2C19KEAP1NFE2L2 | |
| SCHEMBL14921361 | 0.75 | CYP1A2 (0.50) | CYP2C9CYP1A2CYP2C19KEAP1NFE2L2 | |
| SCHEMBL25579206 | 0.72 | ACHE (0.44) | CYP2C9CYP1A2CYP2C19ACHEHSD17B10 | |
| SCHEMBL25266833 | 0.71 | KEAP1 (0.44) | CYP2C9CYP1A2CYP2C19KEAP1ACHE | |
| SCHEMBL25202810 | 0.71 | KEAP1 (0.44) | CYP2C9CYP1A2CYP2C19KEAP1ACHE | |
| SCHEMBL8268236 | 0.71 | CYP1A2 (0.49) | CYP2C9CYP1A2CYP2C19CYP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015123355-A1 | SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS | EOLAS THERAPEUTICS, INC. (US) | 2015-08-20 | — | — | WO | disclosed |