Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9449722 | 0.70 | MAPT (0.38) | MAPTALDH1A1CYP3A4MEN1GFER | |
| SCHEMBL8301113 | 0.67 | ALDH1A1 (0.43) | CYP1A2MAPTALDH1A1CYP3A4MEN1 | |
| SCHEMBL5820108 | 0.67 | MAPT (0.41) | CYP1A2MAPTALDH1A1CYP3A4MEN1 | |
| SCHEMBL4733588 | 0.67 | HTR2A (0.36) | MAPTALDH1A1CYP3A4MEN1GFER | |
| SCHEMBL31401249 | 0.66 | CYP1A2 (0.50) | CYP1A2MAPTALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL23792086 | 0.66 | MAPT (0.37) | MAPTALDH1A1MEN1GFERKMT2A | |
| SCHEMBL23783059 | 0.65 | MAPT (0.31) | MAPTMAPK1 | |
| SCHEMBL19927402 | 0.65 | TPMT (0.41) | CYP1A2MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL9452622 | 0.64 | MAPT (0.47) | CYP1A2MAPTALDH1A1CYP3A4MEN1 | |
| SCHEMBL30503607 | 0.64 | MAPT (0.47) | CYP1A2MAPTALDH1A1CYP3A4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1448547-B1 | PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2005-04-20 | — | — | EP | disclosed |
| US-6831087-B2 | 2-(Pyrid-2- or 4-yl)-1,2,3,4-tetrahydroisoquinoline and derivatives; a good affinity to the NMDA receptor (N-methyl-D-asparate); acute/cronic neurodegenerative diseases; bacterial/viral infections; antidepressants; analgesics | HOFFMANN-LA ROCHE INC. | 2004-12-14 | — | — | US | disclosed |
| EP-1448547-A1 | PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-25 | — | — | EP | disclosed |
| US-20030119870-A1 | Pyridine substituted isoquinoline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-26 | — | — | US | disclosed |
| WO-2003040128-A1 | PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-15 | — | — | 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-20030119870-A1 | Pyridine substituted isoquinoline derivatives | GRIN1, GRIN2C, GRIN2A | CYP1A2 1057/4885MAPT 1334/4885ALDH1A1 1287/4885 |
“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.