Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Setipiprant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 known ✓ | Q9Y5Y4 | 19/20 | 1.00 |
| ▸ | PTGDR | Q13258 | 6/20 | 1.00 |
| ▸ | PTGER2 | P43116 | 5/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.80 |
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 | |
|---|---|---|---|---|
| Setipiprant SCHEMBL3089969 | 1.00 | PTGDR2 (1.00) | PTGDR2PTGDRPTGER2CYP2C9 | |
| Setipiprant SCHEMBL29358337 | 1.00 | PTGDR2 (1.00) | PTGDR2PTGDRPTGER2CYP2C9 | |
| SCHEMBL3089983 | 0.89 | PTGDR2 (1.00) | PTGDR2PTGDRPTGER2CYP2C9 | |
| SCHEMBL3083833 | 0.89 | PTGDR2 (1.00) | PTGDR2PTGDRPTGER2CYP2C9 | |
| SCHEMBL3083273 | 0.89 | PTGDR2 (0.80) | PTGDR2PTGDRPTGER2CYP2C9 | |
| SCHEMBL3091135 | 0.89 | PTGDR2 (1.00) | PTGDR2PTGDRPTGER2CYP2C9 | |
| SCHEMBL3081699 | 0.86 | PTGDR2 (1.00) | PTGDR2PTGDRPTGER2CYP2C9 | |
| SCHEMBL3079230 | 0.85 | PTGDR2 (1.00) | PTGDR2PTGDRPTGER2CYP2C9 | |
| SCHEMBL3085508 | 0.85 | PTGDR2 (0.73) | PTGDR2PTGDRPTGER2CYP2C9 | |
| SCHEMBL3083537 | 0.84 | PTGDR2 (0.73) | PTGDR2PTGDRPTGER2CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3941579-A1 | POSTURAL ORTHOSTATIC TACHYCARDIA SYNDROME AND CRTH2 | Amerimmune, LLC (US) | 2022-01-26 | — | — | EP | claimed |
| EP-3941579-A1 | POSTURAL ORTHOSTATIC TACHYCARDIA SYNDROME AND CRTH2 | Amerimmune, LLC (US) | 2022-01-26 | — | — | EP | disclosed |