Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diacetylmorphine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 13/20 | 0.63 |
| ▸ | OPRD1 | P41143 | 10/20 | 0.73 |
| ▸ | OPRK1 | P41145 | 11/20 | 0.63 |
| ▸ | MRGPRX2 | Q96LB1 | 2/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| Diacetylmorphine SCHEMBL5313813 | 0.97 | OPRD1 (0.69) | OPRD1OPRM1OPRK1MRGPRX2ADRB1 | |
| Diacetylmorphine SCHEMBL8929389 | 0.96 | OPRD1 (0.68) | OPRD1OPRM1OPRK1MRGPRX2ADRB1 | |
| Diacetylmorphine SCHEMBL28409302 | 0.94 | OPRD1 (0.76) | OPRD1OPRM1OPRK1MRGPRX2ADRB1 | |
| Diacetylmorphine SCHEMBL16922136 | 0.94 | OPRD1 (0.81) | OPRD1OPRM1OPRK1MRGPRX2ADRB1 | |
| Diacetylmorphine SCHEMBL13998950 | 0.94 | OPRD1 (0.81) | OPRD1OPRM1OPRK1MRGPRX2ADRB1 | |
| Diacetylmorphine SCHEMBL10381363 | 0.94 | OPRD1 (0.81) | OPRD1OPRM1OPRK1MRGPRX2ADRB1 | |
| Diacetylmorphine SCHEMBL35150 | 0.94 | OPRD1 (0.81) | OPRD1OPRM1OPRK1MRGPRX2ADRB1 | |
| Diacetylmorphine SCHEMBL14463869 | 0.94 | OPRD1 (0.81) | OPRD1OPRM1OPRK1MRGPRX2ADRB1 | |
| Diacetylmorphine SCHEMBL16922130 | 0.94 | OPRD1 (0.81) | OPRD1OPRM1OPRK1MRGPRX2ADRB1 | |
| Diacetylmorphine SCHEMBL16183153 | 0.94 | OPRD1 (0.81) | OPRD1OPRM1OPRK1MRGPRX2ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1742905-A2 | PROCESS OF MAKING ALFA-AMINOOXYKETONE/ ALFA-AMINOOXYALDEHYDE AND ALFA-HYDROXYKETONE/ ALFA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS OF MAKING REACTION PRODUCTS FROM CYCLIC ALFA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES | Japan Science and Technology Agency (JP) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005090294-A2 | PROCESS OF MAKING α-AMINOOXYKETONE/α-AMINOOXYALDEHYDE AND α-HYDROXYKETONE/α-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS OF MAKING REACTION PRODUCTS FROM CYCLIC α,ß-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2005-09-29 | — | — | WO | disclosed |