Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 4/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1177149 | 0.82 | HTT (0.43) | HTTALDH1A1NCOA1SMN1; SMN2NCOA3 | |
| SCHEMBL17540701 | 0.76 | CTSB (0.38) | ALDH1A1PTGESCTSLCTSBCTSS | |
| SCHEMBL17540644 | 0.73 | CNR1 (0.60) | ALDH1A1SMN1; SMN2CNR1TAAR1 | |
| SCHEMBL30967759 | 0.72 | ALDH1A1 (0.46) | ALDH1A1PTGESSIGMAR1TAAR1CTSB | |
| SCHEMBL29237625 | 0.72 | ALDH1A1 (0.46) | ALDH1A1PTGESSIGMAR1TAAR1CTSB | |
| SCHEMBL28122969 | 0.71 | ALDH1A1 (0.60) | HTTALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL18498768 | 0.70 | TAAR1 (0.50) | SMN1; SMN2SIGMAR1TAAR1 | |
| SCHEMBL15505046 | 0.70 | MAOB (0.48) | CNR1PTGESSIGMAR1TAAR1 | |
| SCHEMBL3471743 | 0.70 | HCAR2 (0.47) | PTGESEGFRERBB2SIGMAR1TAAR1 | |
| SCHEMBL24528878 | 0.69 | ACACB (0.57) | PTGESSIGMAR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10316036-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2019-06-11 | — | — | US | disclosed |
| EP-3186250-B1 | SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | HOFFMANN LA ROCHE (CH) | 2018-04-18 | — | — | EP | disclosed |
| US-20180037582-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-02-08 | — | — | US | disclosed |
| US-9828374-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-11-28 | — | — | US | disclosed |
| EP-3186250-A1 | SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | F. Hoffmann-La Roche AG (CH) | 2017-07-05 | — | — | EP | disclosed |
| US-20170145010-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-05-25 | — | — | US | disclosed |
| WO-2016030306-A1 | SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-03-03 | — | — | 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 (3 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-20170145010-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HCRTR2, CYP11B2, CYP1A2 | HTT 1608/4885ALDH1A1 255/4885NCOA1 434/4885 |
| US-20180037582-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HCRTR2, HCRTR1, CYP11B2 | HTT 1262/4885ALDH1A1 352/4885NCOA1 234/4885 |
| US-10316036-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HCRTR2, HCRTR1, CYP11B2 | HTT 1262/4885ALDH1A1 352/4885NCOA1 234/4885 |
“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.