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 | 0.69 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.69 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.54 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.54 |
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 SCHEMBL2522739 | 1.00 | OPRM1 (0.69) | OPRM1KCNA3CHRM2CHRM5CHRM1 | |
| Diphenoxylate SCHEMBL16766515 | 0.97 | OPRM1 (0.65) | OPRM1KCNA3CHRM2CHRM5CHRM1 | |
| Diphenoxylate SCHEMBL865011 | 0.97 | OPRM1 (0.64) | OPRM1KCNA3CHRM2CHRM5CHRM1 | |
| Diphenoxylate SCHEMBL1831278 | 0.86 | OPRM1 (0.51) | OPRM1KCNA3CHRM2CHRM5CHRM1 | |
| Diphenoxylate SCHEMBL42940 | 0.83 | OPRM1 (1.00) | OPRM1KCNA3ADRA1ASLC22A1OPRD1 | |
| Diphenoxylate SCHEMBL28596518 | 0.82 | OPRM1 (0.98) | OPRM1KCNA3ADRA1ASLC22A1OPRD1 | |
| Diphenoxylate SCHEMBL42124 | 0.82 | OPRM1 (0.98) | OPRM1KCNA3ADRA1ASLC22A1OPRD1 | |
| Diphenoxylate SCHEMBL28374697 | 0.82 | OPRM1 (0.98) | OPRM1KCNA3ADRA1ASLC22A1OPRD1 | |
| Diphenoxylate SCHEMBL20595320 | 0.82 | OPRM1 (0.98) | OPRM1KCNA3ADRA1ASLC22A1OPRD1 | |
| Diphenoxylate SCHEMBL28385054 | 0.82 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008116165-A9 | METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION | NEXT SAFETY INC (US) | 2009-06-11 | — | — | WO | claimed |
| WO-2008116165-A2 | METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION | NEXT SAFETY, INC. (US) | 2008-09-25 | — | — | WO | claimed |
| US-20080066741-A1 | METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION | HUNTER, CHARLES ERIC | 2008-03-20 | — | — | US | claimed |
| US-9554989-B2 | Silk reservoirs for drug delivery | TRUSTEES OF TUFTS COLLEGE (US) | 2017-01-31 | — | — | US | disclosed |
| US-20150045764-A1 | SILK RESERVOIRS FOR DRUG DELIVERY | TRUSTEES OF TUFTS COLLEGE | 2015-02-12 | — | — | US | disclosed |
| EP-2827884-A1 | SILK RESERVOIRS FOR DRUG DELIVERY | Trustees Of Tufts College (US) | 2015-01-28 | — | — | EP | disclosed |
| WO-2013148158-A1 | LASER-ACTUATED THERAPEUTIC NANOPARTICLES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-10-03 | — | — | WO | disclosed |
| WO-2013142119-A1 | SILK RESERVOIRS FOR DRUG DELIVERY | TRUSTEES OF TUFTS COLLEGE (US) | 2013-09-26 | — | — | WO | disclosed |