Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | QPCT | Q16769 | 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 | |
|---|---|---|---|---|
| SCHEMBL11951599 | 0.81 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL24732287 | 0.71 | CCR1 (0.64) | CYP2A6TLR8NPSR1ALDH1A1LMNA | |
| SCHEMBL20779641 | 0.70 | CYP2C19 (0.40) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL17666289 | 0.69 | LRRK2 (0.57) | TLR8ALDH1A1LMNAPKMPDE3B | |
| SCHEMBL28301573 | 0.68 | CYP2A6 (0.59) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL18814932 | 0.67 | CCR1 (0.60) | CYP3A4CYP2A6TLR8NPSR1LMNA | |
| SCHEMBL10994298 | 0.67 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL14400489 | 0.67 | MEN1 (0.41) | NPSR1ALDH1A1LMNAALPLCA9 | |
| SCHEMBL28138015 | 0.67 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL28895999 | 0.67 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-9511067-B2 | Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-12-06 | — | — | US | disclosed |
| US-20150174127-A1 | Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2015-06-25 | — | — | US | disclosed |
| US-8916565-B2 | Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-12-23 | — | — | US | disclosed |
| US-20120196869-A1 | PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2012-08-02 | — | — | US | 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 (2 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-20150174127-A1 | Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels | KCNJ2, KCNJ5, KCNJ1 | CYP3A4 3620/4885CYP2C9 4046/4885CYP2C19 3941/4885 |
| US-20120196869-A1 | PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | KCNJ2, KCNJ5, KCNJ1 | CYP3A4 3620/4885CYP2C9 4046/4885CYP2C19 3941/4885 |
“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.