Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7094138 | 1.00 | PTGS2 (0.44) | PTGS2AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL7092175 | 0.91 | PTGS2 (0.49) | PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7092171 | 0.91 | PTGS2 (0.49) | PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7092978 | 0.90 | AKR1C3 (0.48) | PTGS2AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL7093641 | 0.90 | AKR1C3 (0.48) | PTGS2AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL9775662 | 0.87 | CES1 (0.46) | — | |
| SCHEMBL9775660 | 0.87 | CES1 (0.46) | — | |
| SCHEMBL5344325 | 0.74 | PTGS2 (0.68) | PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL5344331 | 0.74 | PTGS2 (0.68) | PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL5344336 | 0.74 | PTGS2 (0.68) | PTGS2AKR1C3AKR1C2AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003084935-A2 | DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES | ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) | 2003-10-16 | — | — | WO | disclosed |