Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.48 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.48 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.48 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.48 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7844830 | 0.98 | DYRK1A (0.52) | DYRK1ACLK4GAACYP1A1CYP1A2 | |
| SCHEMBL1515073 | 0.94 | GAA (0.54) | DYRK1ACLK4GAACYP1A1CYP1A2 | |
| SCHEMBL1515133 | 0.90 | DYRK1A (0.55) | DYRK1ACLK4GAACYP1A1CYP1A2 | |
| SCHEMBL1257312 | 0.79 | RAB9A (0.50) | DYRK1ACLK4GAACYP1A1CYP1A2 | |
| SCHEMBL196765 | 0.79 | CYP3A4 (0.73) | DYRK1ACLK4GAACYP1A1CYP1A2 | |
| SCHEMBL29489425 | 0.79 | CYP3A4 (0.73) | DYRK1ACLK4GAACYP1A1CYP1A2 | |
| SCHEMBL17514729 | 0.77 | ALDH1A1 (0.52) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| Hydrogen Sulfide SCHEMBL28640169 | 0.77 | CYP3A4 (0.70) | DYRK1ACLK4GAACYP1A1CYP1A2 | |
| SCHEMBL29628977 | 0.77 | CYP3A4 (0.77) | DYRK1ACLK4GAACYP1A1CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL27960505 | 0.77 | CYP3A4 (0.70) | DYRK1ACLK4GAACYP1A1CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1734942-A1 | SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2006-12-27 | — | — | EP | disclosed |
| WO-2005087215-A1 | SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2005-09-22 | — | — | WO | disclosed |
| EP-1064262-A1 | SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS | Aventis Pharma Deutschland GmbH (DE) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999042444-A1 | SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 1999-08-26 | — | — | WO | disclosed |