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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 14/20 | 0.61 |
| ▸ | OPRD1 | P41143 | 12/20 | 0.71 |
| ▸ | OPRK1 | P41145 | 12/20 | 0.61 |
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 SCHEMBL5237683 | 0.94 | OPRD1 (0.73) | OPRD1OPRM1OPRK1 | |
| Diacetylmorphine SCHEMBL28409302 | 0.93 | OPRD1 (0.76) | OPRD1OPRM1OPRK1 | |
| Diacetylmorphine SCHEMBL16922136 | 0.93 | OPRD1 (0.81) | OPRD1OPRM1OPRK1 | |
| Diacetylmorphine SCHEMBL16183153 | 0.93 | OPRD1 (0.81) | OPRD1OPRM1OPRK1 | |
| Diacetylmorphine SCHEMBL10381363 | 0.93 | OPRD1 (0.81) | OPRD1OPRM1OPRK1 | |
| Diacetylmorphine SCHEMBL14463869 | 0.93 | OPRD1 (0.81) | OPRD1OPRM1OPRK1 | |
| Diacetylmorphine SCHEMBL35150 | 0.93 | OPRD1 (0.81) | OPRD1OPRM1OPRK1 | |
| Diacetylmorphine SCHEMBL16922130 | 0.93 | OPRD1 (0.81) | OPRD1OPRM1OPRK1 | |
| Diacetylmorphine SCHEMBL13998950 | 0.93 | OPRD1 (0.81) | OPRD1OPRM1OPRK1 | |
| Diacetylmorphine SCHEMBL17302926 | 0.93 | OPRD1 (0.81) | OPRD1OPRM1OPRK1 |
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-1539762-A2 | BICYCLIC PYRIMIDINONES AS COAGULATION CASCADE INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004002406-A2 | BICYCLIC PYRIMIDINONES AS COAGULATION CASCADE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-01-08 | — | — | WO | disclosed |