Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.51 |
| ▸ | PREP | P48147 | 5/20 | 0.49 |
| ▸ | FABP7 | O15540 | 1/20 | 0.43 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13108601 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HCRTR1OPRK1PREPFABP7 | |
| SCHEMBL13099523 | 0.85 | HCRTR1 (0.59) | ALDH1A1HCRTR1OPRK1PREP | |
| SCHEMBL15970479 | 0.85 | HCRTR1 (0.59) | ALDH1A1HCRTR1OPRK1PREP | |
| SCHEMBL15743774 | 0.85 | HCRTR1 (0.59) | ALDH1A1HCRTR1OPRK1PREP | |
| SCHEMBL15743766 | 0.84 | HCRTR1 (0.70) | ALDH1A1HCRTR1OPRK1PREP | |
| SCHEMBL13099535 | 0.84 | HCRTR1 (0.70) | ALDH1A1HCRTR1OPRK1PREP | |
| SCHEMBL13108468 | 0.83 | ALDH1A1 (0.61) | ALDH1A1HCRTR1OPRK1PREPFKBP1A | |
| SCHEMBL13099633 | 0.83 | ALDH1A1 (0.61) | ALDH1A1HCRTR1OPRK1PREPFKBP1A | |
| SCHEMBL13108450 | 0.81 | KMT2A (0.51) | ALDH1A1PREPFABP7FABP5CYP3A4 | |
| SCHEMBL13099642 | 0.81 | KMT2A (0.51) | ALDH1A1PREPFABP7FABP5CYP3A4 |
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-20140243333-A1 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | UNIVERSITY OF KANSAS (US) | 2014-08-28 | — | — | US | disclosed |
| US-20140243333-A1 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | UNIVERSITY OF KANSAS (US) | 2014-08-28 | — | — | US | disclosed |
| US-8735391-B2 | Synthesis of functionalized octahydro-isoquinolin-1-one-8-carboxamides, octahydro-isoquinolin-1-one-8-carboxylic esters and analogs, and therapeutic methods | UNIVERSITY OF KANSAS (US) | 2014-05-27 | — | — | US | disclosed |
| US-8735391-B2 | Synthesis of functionalized octahydro-isoquinolin-1-one-8-carboxamides, octahydro-isoquinolin-1-one-8-carboxylic esters and analogs, and therapeutic methods | UNIVERSITY OF KANSAS (US) | 2014-05-27 | — | — | US | disclosed |
| US-20100256142-A1 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8- CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | UNIVERSITY OF NORTH CAROLINA | 2010-10-07 | — | — | 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 (2 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-20100256142-A1 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8- CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | OPRM1, OPRK1, OPRL1 | ALDH1A1 131/4885HCRTR1 14/4885OPRK1 2/4885 |
| US-20140243333-A1 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | OPRM1, OPRK1, OPRD1 | ALDH1A1 109/4885HCRTR1 33/4885OPRK1 2/4885 |
“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.