Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | IKBKB | O14920 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20095475 | 1.00 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19IKBKBALDH1A1 | |
| SCHEMBL810405 | 0.85 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19IKBKBALDH1A1 | |
| SCHEMBL20095479 | 0.84 | IKBKB (0.50) | CYP1A2CYP2C9CYP2C19IKBKBALDH1A1 | |
| SCHEMBL811142 | 0.83 | IKBKB (0.54) | CYP1A2CYP2C9CYP2C19IKBKBALDH1A1 | |
| SCHEMBL810238 | 0.83 | IKBKB (0.54) | CYP1A2CYP2C9CYP2C19IKBKBALDH1A1 | |
| SCHEMBL810930 | 0.83 | IKBKB (0.54) | CYP1A2CYP2C9CYP2C19IKBKBALDH1A1 | |
| SCHEMBL20095476 | 0.82 | IKBKB (0.41) | CYP1A2CYP2C9CYP2C19IKBKBALDH1A1 | |
| SCHEMBL13770987 | 0.81 | IKBKB (0.46) | IKBKBKEAP1NFE2L2NAMPT | |
| SCHEMBL6949199 | 0.81 | IKBKB (0.46) | CYP1A2CYP2C9CYP2C19IKBKBKEAP1 | |
| SCHEMBL810378 | 0.81 | IKBKB (0.56) | CYP1A2CYP2C9CYP2C19IKBKBHDAC3 |
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-0984938-B1 | CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS | LEO PHARMA AS WITH SECONDARY N (DK) | 2003-09-10 | — | — | EP | disclosed |