Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.44 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.44 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.44 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.44 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29489425 | 0.74 | CYP3A4 (0.73) | DYRK1ACLK4CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL196765 | 0.74 | CYP3A4 (0.73) | DYRK1ACLK4CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL5578517 | 0.74 | DYRK1A (0.56) | DYRK1ACLK4TDO2CYP1A1CYP1A2 | |
| SCHEMBL29628977 | 0.72 | CYP3A4 (0.77) | DYRK1ACLK4CYP1A1CYP1A2CYP2E1 | |
| Hydrogen Sulfide SCHEMBL28640169 | 0.72 | CYP3A4 (0.70) | DYRK1ACLK4CYP1A1CYP1A2CYP2E1 | |
| Ammonia Solution, Strong SCHEMBL27960505 | 0.72 | CYP3A4 (0.70) | DYRK1ACLK4CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL8654425 | 0.72 | DYRK1A (0.50) | DYRK1ACLK4TDO2CYP1A1CYP1A2 | |
| SCHEMBL2095549 | 0.72 | DYRK1A (0.50) | DYRK1ACLK4TDO2CYP1A1CYP1A2 | |
| SCHEMBL1180343 | 0.71 | ABL1 (0.69) | DYRK1ACLK4CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL5578407 | 0.70 | DYRK1A (0.51) | DYRK1ACLK4TDO2CYP1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101076332-A | Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases | PTC THERAPEUTICS INC (US) | 2007-11-21 | — | — | CN | disclosed |