Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diphenoxylate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 8/20 | 0.98 |
| ▸ | KCNA3 | P22001 | 5/20 | 0.98 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.63 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.63 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Diphenoxylate SCHEMBL42940 | 0.99 | OPRM1 (1.00) | OPRM1KCNA3OPRD1OPRK1SLC22A1 | |
| Diphenoxylate SCHEMBL28374697 | 0.98 | OPRM1 (0.98) | OPRM1KCNA3OPRD1OPRK1SLC22A1 | |
| Diphenoxylate SCHEMBL20595320 | 0.98 | OPRM1 (0.98) | OPRM1KCNA3OPRD1OPRK1SLC22A1 | |
| Diphenoxylate SCHEMBL28385054 | 0.98 | OPRM1 (0.98) | OPRM1KCNA3OPRD1OPRK1SLC22A1 | |
| Diphenoxylate SCHEMBL42124 | 0.98 | OPRM1 (0.98) | OPRM1KCNA3OPRD1OPRK1SLC22A1 | |
| Diphenoxylate SCHEMBL3083175 | 0.96 | OPRM1 (0.94) | OPRM1KCNA3OPRD1OPRK1SLC22A1 | |
| Diphenoxylate SCHEMBL8160138 | 0.96 | OPRM1 (0.94) | OPRM1KCNA3OPRD1OPRK1SLC22A1 | |
| Diphenoxylate SCHEMBL29019114 | 0.91 | OPRM1 (0.84) | OPRM1KCNA3OPRD1OPRK1SLC22A1 | |
| Butoxylate SCHEMBL1748460 | 0.90 | KCNA3 (0.80) | OPRM1KCNA3OPRD1OPRK1 | |
| Butoxylate SCHEMBL23852174 | 0.89 | KCNA3 (0.82) | OPRM1KCNA3OPRD1OPRK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117705974-A | Kit for screening pesticide and drug poisoning and application method thereof | 杭州汉科生物科技有限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-113461134-A | Bacterial cellulose membrane loaded nano zero-valent iron composite material and preparation method and application thereof | 北京建筑大学 | 2021-10-01 | — | — | CN | disclosed |
| CN-108697081-B | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 美国陶氏益农公司 | 2021-07-23 | — | — | CN | disclosed |