Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA4 | P48058 | 3/20 | 0.37 |
| ▸ | CTSK | P43235 | 7/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.31 |
| ▸ | NRP1 | O14786 | 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 | |
|---|---|---|---|---|
| SCHEMBL8800287 | 0.82 | GRIA4 (0.49) | GRIA4CTSKPTGS2NPC1TDP1 | |
| SCHEMBL7874918 | 0.82 | NPC1 (0.39) | GRIA4PTGS2PTGS1NPC1TDP1 | |
| SCHEMBL7869535 | 0.79 | L3MBTL1 (0.47) | GRIA4CTSKNPC1TDP1L3MBTL1 | |
| SCHEMBL8951507 | 0.73 | TDP1 (0.40) | GRIA4PTGS2PTGS1NPC1TDP1 | |
| SCHEMBL8802071 | 0.71 | CTSK (0.36) | GRIA4CTSKPTGS2PTGS1GRIA2 | |
| SCHEMBL7874964 | 0.65 | L3MBTL1 (0.49) | GRIA4NPC1TDP1L3MBTL1 | |
| SCHEMBL7874965 | 0.65 | PTGS1 (0.45) | GRIA4PTGS2PTGS1NPC1TDP1 | |
| SCHEMBL6247727 | 0.64 | PTGS2 (0.57) | PTGS2PTGS1NPC1 | |
| SCHEMBL17283465 | 0.62 | PTGS2 (0.63) | PTGS2PTGS1NPC1TDP1 | |
| SCHEMBL403028 | 0.62 | PTGS2 (0.63) | PTGS2PTGS1NPC1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6329421-B1 | PHENYL-SUBSTITUTED BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES; NONSTEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA & CO. (CA) | 2001-12-11 | — | — | US | disclosed |
| EP-0778834-B1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2000-01-26 | — | — | EP | disclosed |
| EP-0778834-A1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 1997-06-18 | — | — | EP | disclosed |
| US-5521213-A | NONSTEROID ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-05-28 | — | — | US | disclosed |
| WO-1996006840-A1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 1996-03-07 | — | — | WO | disclosed |