Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.46 |
| ▸ | EPAS1 | Q99814 | 5/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | VEGFA | P15692 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL4874724 | 0.75 | PTGDR2 (0.48) | PTGDR2EPAS1FFAR1KCNH2VEGFA | |
| SCHEMBL5574572 | 0.73 | PTGDR2 (0.47) | PTGDR2EPAS1FFAR1KCNH2VEGFA | |
| SCHEMBL2393357 | 0.73 | PTGDR2 (0.43) | PTGDR2EPAS1CYP2C9KCNH2VEGFA | |
| SCHEMBL2393446 | 0.73 | PPARG (0.47) | PTGDR2EPAS1FFAR1VEGFAMRGPRX4 | |
| SCHEMBL2398431 | 0.72 | MRGPRX4 (0.46) | PTGDR2EPAS1KCNH2VEGFAMRGPRX4 | |
| SCHEMBL4231510 | 0.71 | PDE2A (0.43) | CYP2C9KDM4ESMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL29777469 | 0.71 | MRGPRX4 (0.48) | PTGDR2EPAS1VEGFAMRGPRX4NPSR1 | |
| SCHEMBL5574574 | 0.71 | PTGDR2 (0.45) | PTGDR2EPAS1FFAR1KCNH2VEGFA | |
| SCHEMBL2394657 | 0.69 | EPAS1 (0.46) | PTGDR2EPAS1VEGFAMRGPRX4NPSR1 | |
| SCHEMBL4231159 | 0.69 | PDE2A (0.40) | CYP2C9KDM4ESMN1; SMN2CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-8022248-B2 | 3-[2-(3-Cyanophenoxy)-4-(trifluoromethyl)phenyl]propanoic acid;prostaglandin D2 inhibitor, orphan receptor CRTH2 antagonist; antiinflammatory, analgesic, antipyretic; respiratory system disorders: asthma and rhinitis; coupling amino/thio-phenyl derivatives with ester followed by hydrolysis to acid | ASTRAZENECA AB (SE) | 2011-09-20 | — | — | US | disclosed |