Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 18/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL8924371 | 0.89 | CYP1A2 (0.50) | CYP1A2CYP2D6GRIA2PTGS2PTGS1 | |
| SCHEMBL8917350 | 0.88 | CYP1A2 (0.52) | CYP1A2CYP2D6GRIA2PTGS2PTGS1 | |
| SCHEMBL9091738 | 0.88 | PTGS2 (0.58) | PTGS2PTGS1 | |
| SCHEMBL8918967 | 0.88 | CYP1A2 (0.51) | CYP1A2CYP2D6GRIA2PTGS2PTGS1 | |
| SCHEMBL8918689 | 0.85 | PTGS2 (0.51) | CYP1A2CYP2D6GRIA2PTGS2PTGS1 | |
| SCHEMBL8917448 | 0.85 | PTGS2 (0.47) | CYP1A2CYP2D6GRIA2PTGS2PTGS1 | |
| SCHEMBL8916289 | 0.84 | CYP1A2 (0.46) | CYP1A2CYP2D6GRIA2PTGS2PTGS1 | |
| SCHEMBL8917438 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP2D6GRIA2PTGS2PTGS1 | |
| SCHEMBL8919067 | 0.82 | CYP1A2 (0.53) | CYP1A2CYP2D6GRIA2PTGS2PTGS1 | |
| SCHEMBL8921405 | 0.81 | PTGS2 (0.40) | PTGS2PTGS1 |
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-5696143-A | ARTHRITIS THERAPY | G.D. SEARLE & CO. | 1997-12-09 | — | — | US | disclosed |