Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL4907692 | 0.84 | TP53 (0.39) | GABRA1GABRB2TP53KCNH2 | |
| SCHEMBL7497272 | 0.79 | TSHR (0.35) | HDAC8 | |
| SCHEMBL783313 | 0.75 | — | — | |
| SCHEMBL20128354 | 0.74 | TP53 (0.32) | TP53KCNH2 | |
| SCHEMBL943724 | 0.70 | — | — | |
| SCHEMBL29457179 | 0.68 | — | — | |
| SCHEMBL696060 | 0.68 | — | — | |
| SCHEMBL11863929 | 0.67 | L3MBTL1 (0.33) | — | |
| Hydrogen Peroxide SCHEMBL3647380 | 0.67 | ALDH1A1 (0.34) | HDAC8 | |
| SCHEMBL8898003 | 0.66 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100516061-C | Pyridine derivatives as NMDA receptor ligands | HOFFMANN LA ROCHE (CH) | 2009-07-22 | — | — | CN | disclosed |
| CN-1837195-A | Pyridine derivatives as nmda-receptor subtype blockers | HOFFMANN LA ROCHE (CH) | 2006-09-27 | — | — | CN | disclosed |
| US-7034044-B2 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. (US) | 2006-04-25 | — | — | US | disclosed |
| US-20060058354-A1 | Conjugated aromatic compounds with a pyridine substituent | ALANINE ALEXANDER | 2006-03-16 | — | — | US | disclosed |
| US-6951875-B2 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. (US) | 2005-10-04 | — | — | US | disclosed |
| EP-1448547-B1 | PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2005-04-20 | — | — | EP | disclosed |
| CN-1585762-A | Pyridine derivatives as NMDA receptor ligands | HOFFMANN LA ROCHE (CH) | 2005-02-23 | — | — | CN | disclosed |
| CN-1578662-A | Pyridine derivatives as nmda-receptor subtype blockers | HOFFMANN LA ROCHE (CH) | 2005-02-09 | — | — | CN | 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 |
| EP-1443926-A1 | PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-11 | — | — | EP | disclosed |
| US-20040068118-A1 | Conjugated aromatic compounds with a pyridine substituent | ALANINE ALEXANDER (FR) | 2004-04-08 | — | — | US | disclosed |
| US-20030144525-A1 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. | 2003-07-31 | — | — | US | 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 |
| WO-2003037333-A1 | PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-08 | — | — | 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 (4 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-20040068118-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN1, GRIN2C | GABRA1 48/4885GABRB2 40/4885HDAC8 1113/4885 |
| US-20030144525-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN1, GRIN2C | GABRA1 48/4885GABRB2 40/4885HDAC8 1113/4885 |
| US-20060058354-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN3A, GRIN2C | GABRA1 61/4885GABRB2 42/4885HDAC8 1024/4885 |
| US-20030119870-A1 | Pyridine substituted isoquinoline derivatives | GRIN1, GRIN2C, GRIN2A | GABRA1 38/4885GABRB2 54/4885HDAC8 2373/4885 |
“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.