Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
| ▸ | EDNRA | P25101 | 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 | |
|---|---|---|---|---|
| SCHEMBL6890626 | 0.88 | TSHR (0.55) | TSHRCYP19A1HPGDLMNAUSP2 | |
| SCHEMBL6890628 | 0.88 | TSHR (0.55) | TSHRCYP19A1HPGDLMNAUSP2 | |
| SCHEMBL6885972 | 0.88 | TSHR (0.55) | TSHRCYP19A1HPGDLMNAUSP2 | |
| SCHEMBL6890624 | 0.88 | TSHR (0.55) | TSHRCYP19A1HPGDLMNAUSP2 | |
| SCHEMBL9715115 | 0.80 | MAPK1 (0.50) | TSHRSMN1; SMN2USP2GAANPC1 | |
| SCHEMBL15116650 | 0.77 | TSHR (0.52) | TSHRCYP19A1KDM4EHPGDLMNA | |
| SCHEMBL2968329 | 0.76 | CA1 (0.46) | TSHRKDM4ESMN1; SMN2HPGDGAA | |
| SCHEMBL20054279 | 0.76 | TSHR (0.51) | TSHRCYP19A1KDM4ESMN1; SMN2HPGD | |
| SCHEMBL12330316 | 0.76 | TSHR (0.54) | TSHRCYP19A1KDM4ESMN1; SMN2HPGD | |
| SCHEMBL15125206 | 0.76 | TSHR (0.51) | TSHRCYP19A1HPGDLMNAUSP2 |
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 | TSHR 107/4885CYP19A1 2395/4885KDM4E 3343/4885 |
“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.