Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL2002531 | 0.90 | PTGS2 (0.52) | PTGS2PTGS1AKR1C3AKR1C2KDM4E | |
| SCHEMBL5554331 | 0.88 | PTGS2 (0.48) | PTGS2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL5554328 | 0.88 | PTGS2 (0.48) | PTGS2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL5545890 | 0.88 | PTGS2 (0.48) | PTGS2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL6424404 | 0.88 | PTGS2 (0.50) | PTGS2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL5545939 | 0.88 | PTGS2 (0.65) | PTGS2PTGS1AKR1C3AKR1C2KDM4E | |
| SCHEMBL5545907 | 0.88 | PTGS2 (0.65) | PTGS2PTGS1AKR1C3AKR1C2KDM4E | |
| SCHEMBL5549754 | 0.88 | PTGS2 (0.65) | PTGS2PTGS1AKR1C3AKR1C2KDM4E | |
| SCHEMBL5555009 | 0.87 | AKR1C3 (0.45) | PTGS2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL5550600 | 0.87 | AKR1C3 (0.45) | PTGS2PTGS1AKR1C3AKR1C2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7960544-B2 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-06-14 | — | — | US | disclosed |