Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.59 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | CCR2 | P41597 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8604439 | 0.81 | PTGS2 (0.52) | PTGS2CCR2 | |
| SCHEMBL5811040 | 0.81 | PTGS2 (0.50) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL29113143 | 0.80 | PTGS2 (0.53) | PTGS2CCR2 | |
| Ammonia Solution, Strong SCHEMBL28859730 | 0.80 | HTR2A (0.57) | HTR2ATAAR1CHRNB2CHRNA4CA12 | |
| SCHEMBL4975056 | 0.79 | PTGS2 (0.44) | PTGS2CCR2 | |
| SCHEMBL4977528 | 0.79 | PTGS2 (0.44) | PTGS2CCR2 | |
| SCHEMBL6011425 | 0.79 | CCR2 (0.49) | PTGS2CCR2 | |
| SCHEMBL4976401 | 0.79 | CCR2 (0.49) | PTGS2CCR2 | |
| SCHEMBL17069339 | 0.79 | PTGS2 (0.52) | PTGS2 | |
| SCHEMBL30395150 | 0.79 | PTGS2 (0.52) | PTGS2 |
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 |