Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TACR3 | P29371 | 4/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4830055 | 0.95 | CYP2C19 (0.49) | CYP2C19ALDH1A1TACR3GAAHTT | |
| SCHEMBL4837044 | 0.93 | CYP2C19 (0.47) | CYP2C19ALDH1A1TACR3OPRM1OPRK1 | |
| SCHEMBL4830077 | 0.93 | CYP2C19 (0.47) | CYP2C19ALDH1A1TACR3GAAHTT | |
| SCHEMBL4830031 | 0.92 | CYP2C19 (0.51) | CYP2C19ALDH1A1TACR3GAAHTT | |
| SCHEMBL4837179 | 0.92 | CYP2C19 (0.46) | CYP2C19ALDH1A1TACR3 | |
| SCHEMBL4839655 | 0.91 | OPRM1 (0.46) | CYP2C19ALDH1A1TACR3OPRM1OPRK1 | |
| SCHEMBL4837151 | 0.89 | CYP2C19 (0.47) | CYP2C19ALDH1A1TACR3 | |
| SCHEMBL4837276 | 0.89 | CYP2C19 (0.47) | CYP2C19ALDH1A1TACR3GAAHTT | |
| SCHEMBL4830126 | 0.89 | TACR3 (0.45) | TACR3 | |
| SCHEMBL4833116 | 0.89 | CYP2C19 (0.46) | 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.