Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.31 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.31 |
| ▸ | CETP | P11597 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL613003 | 1.00 | IDO1 (0.33) | IDO1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL16010791 | 0.70 | PTPN1 (0.41) | IDO1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL13799456 | 0.66 | SLC6A4 (0.34) | — | |
| SCHEMBL9715210 | 0.62 | GAA (0.36) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL10577502 | 0.61 | ALDH1A1 (0.48) | IDO1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL18030014 | 0.60 | — | — | |
| SCHEMBL13006648 | 0.60 | — | — | |
| SCHEMBL14412297 | 0.59 | IDO1 (0.42) | IDO1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL15647555 | 0.59 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL8338339 | 0.59 | ALDH1A1 (0.35) | IDO1ALDH1A1CYP3A4CYP2C9TSHR |
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 5 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 |
| EP-2421862-A1 | OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR | Purdue Research Foundation (US) | 2012-02-29 | — | — | EP | disclosed |
| US-20120041018-A1 | OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR | PURDUE RESEARCH FOUNDATION (US) | 2012-02-16 | — | — | US | disclosed |
| WO-2010124005-A1 | OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR | PURDUE RESEARCH FOUNDATION (US) | 2010-10-28 | — | — | 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-20120041018-A1 | OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR | DBH, SLC6A3, SLC18A2 | IDO1 1195/4885ALDH1A1 662/4885CYP3A4 1454/4885 |
“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.