Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 7/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.41 |
| ▸ | PTGES | O14684 | 4/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6185777 | 0.79 | ALOX5 (0.41) | PTGS1ALOX5PTGS2PTGESALOX5AP | |
| SCHEMBL1839904 | 0.77 | PTGES (0.52) | PTGS1ALOX5PTGS2PTGESALOX5AP | |
| SCHEMBL6498777 | 0.72 | PTGS1 (0.46) | PTGS1ALOX5PTGS2PTGESALOX5AP | |
| SCHEMBL6206054 | 0.72 | ALOX5 (0.69) | PTGS1ALOX5PTGS2PTGESALOX5AP | |
| SCHEMBL6184318 | 0.71 | TP53 (0.38) | PTGS1ALOX5PTGS2MAP4K4CYP1A2 | |
| SCHEMBL6184309 | 0.71 | TP53 (0.38) | PTGS1ALOX5PTGS2MAP4K4CYP1A2 | |
| SCHEMBL6184316 | 0.71 | TP53 (0.38) | PTGS1ALOX5PTGS2MAP4K4CYP1A2 | |
| SCHEMBL6503323 | 0.70 | PTGS1 (0.62) | PTGS1ALOX5PTGS2PTGESALOX5AP | |
| SCHEMBL5561554 | 0.65 | PTGS1 (0.39) | PTGS1ALOX5PTGS2PTGESALOX5AP | |
| SCHEMBL6291354 | 0.64 | PTGS2 (0.68) | PTGS1ALOX5PTGS2PTGESNPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0804437-B1 | [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF | MERCKLE GMBH (DE) | 2005-09-14 | — | — | EP | disclosed |
| US-5939415-A | A!-annellated pyrrole derivatives and their use in pharmacology | MERCKLE GMBH (DE) | 1999-08-17 | — | — | US | disclosed |
| EP-0804437-A1 | [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF | MERCKLE GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| WO-1995032971-A1 | [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF | MERCKLE GMBH (DE) | 1995-12-07 | — | — | WO | disclosed |