Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 9/20 | 0.76 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.76 |
| ▸ | CCR1 | P32246 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10064332 | 0.89 | KCNA3 (0.78) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| Difenoxin SCHEMBL123801 | 0.89 | KCNA3 (0.78) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| SCHEMBL11604250 | 0.88 | KCNA3 (0.84) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| Difenoxin SCHEMBL11604884 | 0.87 | KCNA3 (0.76) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| Difenoxin SCHEMBL149008 | 0.87 | KCNA3 (0.76) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| Diphenoxylate SCHEMBL42940 | 0.86 | OPRM1 (1.00) | KCNA3OPRM1 | |
| SCHEMBL10031241 | 0.86 | KCNA3 (0.74) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| Hydrochloric Acid SCHEMBL11604880 | 0.85 | KCNA3 (0.73) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| Diphenoxylate SCHEMBL20595320 | 0.85 | OPRM1 (0.98) | KCNA3OPRM1 | |
| Diphenoxylate SCHEMBL28596518 | 0.85 | OPRM1 (0.98) | KCNA3OPRM1 |
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-2012025213-A2 | NOVEL THERAPEUTIC COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-01 | — | — | WO | disclosed |