Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22589253 | 0.93 | MAPK14 (0.48) | — | |
| SCHEMBL5726133 | 0.86 | MAPK14 (0.60) | — | |
| SCHEMBL2662864 | 0.86 | MAPK14 (0.60) | — | |
| SCHEMBL7463352 | 0.83 | GRIN2B (0.46) | CYP2D6CYP2C9GRIN2B | |
| SCHEMBL22589139 | 0.83 | MAPK14 (0.48) | — | |
| SCHEMBL7679585 | 0.81 | GRIN2B (0.46) | CYP2D6CYP2C9GRIN2B | |
| SCHEMBL6952215 | 0.81 | TRPC3 (0.44) | CYP2D6CYP2C9GRIN2B | |
| SCHEMBL4024827 | 0.78 | MAPK14 (0.53) | GRIN2B | |
| SCHEMBL3099127 | 0.77 | SMN1; SMN2 (0.48) | GRIN2B | |
| SCHEMBL4029113 | 0.76 | TRPV4 (0.43) | CYP2D6CYP2C9GRIN2B |
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-0863757-B1 | 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2003-03-26 | — | — | EP | disclosed |
| EP-0863757-A4 | — | — | 1998-09-16 | — | — | EP | disclosed |
| EP-0863757-A1 | 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 1998-09-16 | — | — | EP | disclosed |
| US-5792778-A | TREATMENT OF CYTOKINE MEDIATED DISEASES | MERCK & CO., INC. (US) | 1998-08-11 | — | — | US | disclosed |
| WO-1997005877-A1 | 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 1997-02-20 | — | — | WO | disclosed |