Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 3/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 5/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | IDH2 | P48735 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14814634 | 0.86 | GRIN2B (0.37) | PHGDHGRIN2BHTR1ADRD2DRD3 | |
| SCHEMBL14814812 | 0.86 | DRD2 (0.42) | PHGDHDRD2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14815283 | 0.85 | PHGDH (0.40) | PHGDHGRIN2BHTR1ADRD2DRD3 | |
| SCHEMBL14833328 | 0.81 | CYP3A4 (0.45) | PHGDHCYP3A4CYP2D6CYP2C9HSD11B1 | |
| SCHEMBL14814596 | 0.81 | CYP3A4 (0.45) | PHGDHCYP3A4CYP2D6CYP2C9HSD11B1 | |
| SCHEMBL14815192 | 0.79 | CYP3A4 (0.38) | CYP3A4CYP2D6CYP2C9HSD11B1HCRTR2 | |
| SCHEMBL14815310 | 0.78 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP2C9HSD11B1ACACB | |
| SCHEMBL14815018 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9HSD11B1HCRTR2 | |
| SCHEMBL14815009 | 0.76 | CYP3A4 (0.41) | HTR1ADRD2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14815464 | 0.76 | MGLL (0.42) | CYP3A4CYP2D6CYP2C9HSD11B1HCRTR2 |
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-8669255-B2 | Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers | ABBVIE INC. (US) | 2014-03-11 | — | — | US | disclosed |
| US-20130085142-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | ABBVIE INC. (US) | 2013-04-04 | — | — | 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 (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-20130085142-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | CACNA1C, CACNA1E, CACNA1D | PHGDH 3730/4885GRIN2B 159/4885HTR1A 366/4885 |
“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.