Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TACR3 | P29371 | 7/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.37 |
| ▸ | DRD3 | P35462 | 4/20 | 0.37 |
| ▸ | NR1D1 | P20393 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4839170 | 0.92 | POLB (0.41) | ALDH1A1TACR3DRD2DRD3NR1D1 | |
| SCHEMBL4839492 | 0.92 | CYP2C19 (0.49) | CYP2C19ALDH1A1TACR3GAAHTT | |
| SCHEMBL4832889 | 0.91 | CYP2C19 (0.48) | CYP2C19ALDH1A1TACR3GAAHTT | |
| SCHEMBL4837346 | 0.90 | CYP2C19 (0.47) | CYP2C19ALDH1A1TACR3GAAHTT | |
| SCHEMBL4832868 | 0.89 | CYP2C19 (0.46) | CYP2C19ALDH1A1TACR3GAAHTT | |
| SCHEMBL4839617 | 0.88 | CYP2C19 (0.44) | CYP2C19ALDH1A1TACR3GAAHTT | |
| SCHEMBL4830055 | 0.88 | CYP2C19 (0.49) | CYP2C19ALDH1A1TACR3GAAHTT | |
| SCHEMBL4829948 | 0.87 | CYP2C19 (0.46) | CYP2C19ALDH1A1TACR3GAAHTT | |
| SCHEMBL4840728 | 0.86 | CYP2C19 (0.50) | CYP2C19ALDH1A1TACR3GAAHTT | |
| SCHEMBL4837044 | 0.86 | CYP2C19 (0.47) | CYP2C19ALDH1A1TACR3GAAHTT |
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 | CYP2C19 789/4885ALDH1A1 639/4885TACR3 107/4885 |
“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.