Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | MCHR1 | Q99705 | 11/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4838819 | 0.99 | NPSR1 (0.53) | ALDH1A1NPSR1MCHR1OPRK1MTNR1B | |
| SCHEMBL4836850 | 0.99 | NPSR1 (0.53) | ALDH1A1NPSR1MCHR1OPRK1MTNR1B | |
| SCHEMBL4833495 | 0.92 | ALDH1A1 (0.55) | ALDH1A1NPSR1MTNR1BKEAP1 | |
| SCHEMBL4835975 | 0.91 | NPSR1 (0.57) | ALDH1A1NPSR1MTNR1BKEAP1 | |
| SCHEMBL4835911 | 0.90 | NPSR1 (0.49) | ALDH1A1NPSR1MCHR1MTNR1BKEAP1 | |
| SCHEMBL4835870 | 0.89 | NPSR1 (0.51) | ALDH1A1NPSR1MTNR1BKEAP1PRCP | |
| SCHEMBL4839198 | 0.87 | ALDH1A1 (0.51) | ALDH1A1NPSR1MTNR1BKEAP1 | |
| SCHEMBL4839404 | 0.87 | MCHR1 (0.46) | MCHR1OPRK1DRD2MEN1RECQL | |
| SCHEMBL4830056 | 0.84 | NPSR1 (0.49) | ALDH1A1NPSR1OPRK1MTNR1BKEAP1 | |
| SCHEMBL4838758 | 0.83 | MCHR1 (0.46) | MCHR1DRD2MEN1RECQLKMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7384957-B2 | 3,4-dihydro-1H-isoquinolin-2-yl-derivatives | H. LUNDBECK A/S (DK) | 2008-06-10 | — | — | US | claimed |
| US-20050070713-A1 | 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives | H. LUNDBECK A/S (DK) | 2005-03-31 | — | — | US | claimed |
| US-7384957-B2 | 3,4-dihydro-1H-isoquinolin-2-yl-derivatives | H. LUNDBECK A/S (DK) | 2008-06-10 | — | — | US | disclosed |
| US-20050070713-A1 | 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives | H. LUNDBECK A/S (DK) | 2005-03-31 | — | — | US | disclosed |
| EP-1458714-A1 | 3,4-DIHYDRO-1H-ISOQUINOLOIN-2-YL-DERIVATIVES | H. Lundbeck A/S (DK) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003051869-A1 | 3,4-DIHYDRO-1H-ISOQUINOLOIN-2-YL-DERIVATIVES | H. LUNDBECK A/S (DK) | 2003-06-26 | — | — | 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-20050070713-A1 | 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives | KCNJ2, KCNK2, KCNJ11 | ALDH1A1 639/4885NPSR1 167/4885MCHR1 2397/4885 |
“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.