Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MARK3 | P27448 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2316738 | 0.90 | AAK1 (0.46) | AAK1CYP17A1RXFP1MAP4K4ALOX5AP | |
| SCHEMBL3786741 | 0.85 | AAK1 (0.45) | AAK1CYP17A1RXFP1MAP4K4BRD4 | |
| SCHEMBL5868851 | 0.83 | RAB9A (0.44) | CYP17A1 | |
| SCHEMBL30118376 | 0.83 | AAK1 (0.48) | AAK1CYP17A1RXFP1MAP4K4KCNQ4 | |
| SCHEMBL5868895 | 0.83 | AAK1 (0.48) | AAK1CYP17A1RXFP1MAP4K4KCNQ4 | |
| SCHEMBL30118373 | 0.83 | HDAC1 (0.46) | AAK1CYP17A1RXFP1MAP4K4BRD4 | |
| SCHEMBL2132727 | 0.83 | HDAC1 (0.46) | AAK1CYP17A1RXFP1MAP4K4BRD4 | |
| SCHEMBL5868863 | 0.82 | PPARG (0.44) | AAK1CYP17A1TRPV1 | |
| SCHEMBL5868915 | 0.82 | HSP90AA1 (0.44) | AAK1CYP17A1RXFP1MAP4K4TRPV1 | |
| SCHEMBL5868883 | 0.82 | AAK1 (0.45) | AAK1CYP17A1KCNQ4KCNQ5 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7151098-B2 | Glutamate receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2006-12-19 | — | — | US | disclosed |
| US-20060148791-A1 | Glutamate receptor antagonists | ADAM GEO | 2006-07-06 | — | — | US | disclosed |
| US-7018998-B2 | Glutamate receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2006-03-28 | — | — | US | disclosed |
| US-6960578-B2 | Glutamate receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2005-11-01 | — | — | US | disclosed |
| US-20050234048-A1 | Glutamate receptor antagonists | ADAM GEO | 2005-10-20 | — | — | US | disclosed |
| EP-1224175-B1 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2004-03-17 | — | — | EP | disclosed |
| US-20030092677-A1 | Glutamate receptor antagonists | ADAM GEO (DE) | 2003-05-15 | — | — | US | disclosed |
| US-6509328-B1 | Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others | HOFFMANN-LA ROCHE INC. | 2003-01-21 | — | — | US | disclosed |
| EP-1224175-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029012-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | 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 (3 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-20030092677-A1 | Glutamate receptor antagonists | GRM1, GRM3, GRM2 | AAK1 1593/4885CYP17A1 1449/4885DYRK1A 3454/4885 |
| US-20050234048-A1 | Glutamate receptor antagonists | GRM3, GRM1, GRM2 | AAK1 2207/4885CYP17A1 1907/4885DYRK1A 2694/4885 |
| US-20060148791-A1 | Glutamate receptor antagonists | GRM3, GRM1, GRM2 | AAK1 2207/4885CYP17A1 1907/4885DYRK1A 2694/4885 |
“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.