Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Difenoxin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.73 |
| ▸ | KCNA3 | P22001 | 9/20 | 0.76 |
| ▸ | CCR1 | P32246 | 6/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | CCR3 | P51677 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Difenoxin SCHEMBL149008 | 1.00 | KCNA3 (0.76) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| Difenoxin SCHEMBL123801 | 0.99 | KCNA3 (0.78) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| SCHEMBL9106795 | 0.92 | CCR1 (0.70) | KCNA3OPRM1CCR1CCR3 | |
| Hydrochloric Acid SCHEMBL11604880 | 0.91 | KCNA3 (0.73) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| SCHEMBL11721054 | 0.90 | KCNA3 (0.66) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| SCHEMBL10064332 | 0.89 | KCNA3 (0.78) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| Diphenoxylate SCHEMBL8160138 | 0.89 | OPRM1 (0.94) | KCNA3OPRM1 | |
| SCHEMBL11604250 | 0.88 | KCNA3 (0.84) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| Hydrochloric Acid SCHEMBL11603407 | 0.88 | KCNA3 (0.70) | KCNA3OPRM1CCR1RAB9ANPSR1 | |
| SCHEMBL10065583 | 0.87 | KCNA3 (0.76) | KCNA3OPRM1CCR1RAB9ANPSR1 |
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-4076717-A | Derivatives of 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid | G. D. SEARLE & CO. (US) | 1978-02-28 | — | — | US | disclosed |