Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Selexipag. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGIR known ✓ | P43119 | 2/20 | 0.82 |
| ▸ | CKS1B | P61024 | 7/20 | 0.82 |
| ▸ | SKP1 | P63208 | 7/20 | 0.82 |
| ▸ | SKP2 | Q13309 | 7/20 | 0.82 |
| ▸ | CNR1 | P21554 | 5/20 | 0.82 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.82 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.82 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.82 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.82 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.82 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.82 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.82 |
| ▸ | HTR1A | P08908 | 1/20 | 0.82 |
| ▸ | HTR2A | P28223 | 1/20 | 0.82 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.82 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.82 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.82 |
| ▸ | HTR2B | P41595 | 1/20 | 0.82 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.82 |
| ▸ | DRD1 | P21728 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Selexipag SCHEMBL14477538 | 0.97 | CKS1B (0.84) | CKS1BSKP1SKP2CNR1NR1I2 | |
| Selexipag SCHEMBL674122 | 0.90 | CKS1B (1.00) | CKS1BSKP1SKP2CNR1NR1I2 | |
| Selexipag SCHEMBL29360518 | 0.90 | CKS1B (1.00) | CKS1BSKP1SKP2CNR1NR1I2 | |
| SCHEMBL19820816 | 0.89 | CKS1B (0.98) | CKS1BSKP1SKP2CNR1NR1I2 | |
| Laselipag SCHEMBL1259149 | 0.87 | PTGIR (0.78) | CKS1BSKP1SKP2CNR1NR1I2 | |
| Laselipag SCHEMBL1259176 | 0.87 | PTGIR (0.78) | CKS1BSKP1SKP2CNR1NR1I2 | |
| SCHEMBL21014638 | 0.86 | CKS1B (0.81) | CKS1BSKP1SKP2CNR1NR1I2 | |
| SCHEMBL28993924 | 0.85 | CKS1B (0.77) | CKS1BSKP1SKP2CNR1NR1I2 | |
| Laselipag SCHEMBL14477532 | 0.85 | PTGIR (0.80) | CKS1BSKP1SKP2CNR1NR1I2 | |
| SCHEMBL18614742 | 0.84 | CKS1B (0.78) | CKS1BSKP1SKP2CNR1NR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20130005742-A1 | Substituted Diphenylpyrazine Derivatives | CONCERT PHARMACEUTICALS, INC. | 2013-01-03 | — | — | US | disclosed |
| WO-2011017612-A1 | SUBSTITUTED DIPHENYLPYRAZINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-02-10 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130005742-A1 | Substituted Diphenylpyrazine Derivatives | PTGER2, TBXA2R, PTGIR | PTGIR 3/4885CKS1B 3043/4885SKP1 3992/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.