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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 4/20 | 0.65 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.51 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.51 |
| ▸ | HTR2C | P28335 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.51 |
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 SCHEMBL865011 | 0.99 | OPRM1 (0.64) | OPRM1KCNA3ALDH1A1MAPTCHRM2 | |
| Diphenoxylate SCHEMBL4060051 | 0.97 | OPRM1 (0.69) | OPRM1KCNA3ALDH1A1MAPTCHRM2 | |
| Diphenoxylate SCHEMBL2522739 | 0.97 | OPRM1 (0.69) | OPRM1KCNA3ALDH1A1MAPTCHRM2 | |
| Atropine SCHEMBL27893159 | 0.85 | MAPT (0.69) | OPRM1KCNA3ALDH1A1MAPTCHRM2 | |
| Atropine SCHEMBL27778826 | 0.85 | MAPT (0.69) | OPRM1KCNA3ALDH1A1MAPTCHRM2 | |
| Diphenoxylate SCHEMBL1831278 | 0.83 | OPRM1 (0.51) | OPRM1KCNA3ALDH1A1CHRM2CHRM5 | |
| Atropine SCHEMBL27778824 | 0.81 | MAPT (0.63) | OPRM1KCNA3ALDH1A1MAPTCHRM2 | |
| Atropine SCHEMBL27893156 | 0.81 | MAPT (0.61) | OPRM1KCNA3ALDH1A1MAPTCHRM2 | |
| Diphenoxylate SCHEMBL42940 | 0.81 | OPRM1 (1.00) | OPRM1KCNA3ADRA1ASLC22A1OPRD1 | |
| Diphenoxylate SCHEMBL28374697 | 0.80 | OPRM1 (0.98) | OPRM1KCNA3ADRA1ASLC22A1OPRD1 |
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-9434169-B2 | Ink jet recording method and ink jet recording apparatus | SEIKO EPSON CORPORATION (JP) | 2016-09-06 | — | — | US | disclosed |
| US-20150158304-A1 | INK JET RECORDING METHOD AND INK JET RECORDING APPARATUS | SEIKO EPSON CORPORATION (JP) | 2015-06-11 | — | — | US | disclosed |