Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 15/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9458748 | 0.84 | ALOX5 (0.46) | PTGESALOX5PTGS1DHFR | |
| SCHEMBL9459144 | 0.78 | PTGES (0.53) | PTGESALOX5PTGS1 | |
| SCHEMBL9458881 | 0.76 | OXER1 (0.52) | PTGESALOX5PTGS1 | |
| SCHEMBL9458593 | 0.75 | ALOX5 (0.65) | PTGESALOX5PTGS1 | |
| SCHEMBL9458745 | 0.75 | ALOX5 (0.65) | PTGESALOX5PTGS1 | |
| SCHEMBL8594214 | 0.69 | PTGES (0.74) | PTGESALOX5PTGS1 | |
| SCHEMBL9458661 | 0.69 | CYP2D6 (0.39) | PTGS1PTGS2 | |
| SCHEMBL1785116 | 0.69 | PTGES (0.38) | PTGESDHFR | |
| SCHEMBL9472243 | 0.68 | PTGS2 (0.49) | ALOX5PTGS1DHFRPTGS2 | |
| SCHEMBL10445152 | 0.68 | CYP2D6 (0.37) | ALOX5PTGS1PTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5260451-A | Enzyme inhibitors | MERCKLE GMBH (DE) | 1993-11-09 | — | — | US | disclosed |
| EP-0397175-A1 | Substituted pyrrolizine compounds and theit use as pharmaceuticals | Dannhardt, Gerd, Prof.Dr. (DE) | 1990-11-14 | — | — | EP | disclosed |