Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.59 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8604437 | 0.85 | PTGS2 (0.61) | PTGS2DRD1PTGS1 | |
| SCHEMBL13675349 | 0.83 | PTGS2 (0.67) | PTGS2DRD1PTGS1 | |
| SCHEMBL5723494 | 0.81 | PTGS2 (0.65) | PTGS2DRD1PTGS1 | |
| SCHEMBL9890741 | 0.78 | PTGS2 (0.56) | PTGS2DRD1PTGS1 | |
| SCHEMBL8487915 | 0.78 | PTGS2 (0.75) | PTGS2DRD1PTGS1 | |
| SCHEMBL6048541 | 0.77 | PTGS2 (0.59) | PTGS2DRD1PTGS1 | |
| SCHEMBL9839608 | 0.77 | TAAR1 (0.52) | — | |
| SCHEMBL1868872 | 0.77 | DPP4 (0.68) | — | |
| Hydrochloric Acid SCHEMBL6048552 | 0.76 | PTGS2 (0.57) | PTGS2DRD1PTGS1 | |
| SCHEMBL5502727 | 0.75 | PTGS2 (1.00) | 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-5723489-A | ADRENERGIC BLOCKING AGENTS OR STIMULANTS FOR GASTROINTESTINAL DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-03-03 | — | — | US | disclosed |