Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7142638 | 0.83 | GAA (0.42) | PTGS2AKR1C3 | |
| Benzaldehyde SCHEMBL28192263 | 0.77 | ALDH1A1 (0.58) | PTGS2AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL7524100 | 0.77 | ENPP2 (0.48) | PTGS2AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL69726 | 0.76 | MAOB (0.57) | — | |
| SCHEMBL27722400 | 0.75 | PTGS2 (0.59) | PTGS2AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL1987774 | 0.75 | MAOB (0.46) | — | |
| SCHEMBL16770523 | 0.75 | CA12 (0.58) | PTGS2GRIN2B | |
| SCHEMBL27561354 | 0.73 | ENPP2 (0.45) | PTGS2AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL8712652 | 0.72 | MAOB (0.48) | GRIN2B | |
| SCHEMBL1428902 | 0.72 | ENPP2 (0.48) | PTGS2AKR1C3 |
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-5723489-A | ADRENERGIC BLOCKING AGENTS OR STIMULANTS FOR GASTROINTESTINAL DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-03-03 | — | — | US | disclosed |
| CN-1109050-A | Catecholamine surrogates useful as beta3 agonists | BRISTOL MYERS SQUIBB CO (US) | 1995-09-27 | — | — | CN | disclosed |