Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 10/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | VEGFA | P15692 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL613221 | 1.00 | PARP1 (0.46) | PARP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL612709 | 1.00 | PARP1 (0.46) | PARP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL612710 | 1.00 | PARP1 (0.46) | PARP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10504998 | 0.80 | PARP1 (0.42) | PARP1ADRA1AADRA1BACHEPOLB | |
| Hydrochloric Acid SCHEMBL10835963 | 0.79 | PARP1 (0.41) | PARP1ADRA1AADRA1BKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL10835960 | 0.79 | PARP1 (0.41) | PARP1ADRA1AADRA1BKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL10505302 | 0.79 | PARP1 (0.41) | PARP1ADRA1AADRA1BKDM4EALDH1A1 | |
| SCHEMBL10835939 | 0.77 | PARP1 (0.45) | PARP1PDE4APDE4BPDE4CPDE4D | |
| Hydrochloric Acid SCHEMBL613223 | 0.77 | PARP1 (0.40) | PARP1ADRA1AADRA1BKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL613843 | 0.77 | PARP1 (0.40) | PARP1ADRA1AADRA1BKDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9359303-B2 | Octahydrobenzoisoquinoline modulators of dopamine receptors and uses therefor | PURDUE RESEARCH FOUNDATION (US) | 2016-06-07 | — | — | US | disclosed |
| EP-2421862-B1 | OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR | PURDUE RESEARCH FOUNDATION (US) | 2014-06-11 | — | — | EP | disclosed |
| US-20120041018-A1 | OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR | PURDUE RESEARCH FOUNDATION (US) | 2012-02-16 | — | — | 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-20120041018-A1 | OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR | DBH, SLC6A3, SLC18A2 | PARP1 3119/4885PDE4A 285/4885PDE4B 280/4885 |
“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.