Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of (+)-Pentazocine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 10/20 | 1.00 |
| ▸ | OPRM1 | P35372 | 4/20 | 1.00 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 1.00 |
| ▸ | OPRD1 | P41143 | 3/20 | 1.00 |
| ▸ | OPRK1 | P41145 | 3/20 | 1.00 |
| ▸ | EBP | Q15125 | 2/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.78 |
| ▸ | TSHR | P16473 | 1/20 | 0.78 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.76 |
| ▸ | LMNA | P02545 | 1/20 | 0.76 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| Pentazocine SCHEMBL2493 | 1.00 | SIGMAR1 (1.00) | SIGMAR1OPRM1TMEM97OPRD1OPRK1 | |
| (+)-Pentazocine SCHEMBL30132413 | 1.00 | SIGMAR1 (1.00) | SIGMAR1OPRM1TMEM97OPRD1OPRK1 | |
| (+)-Pentazocine SCHEMBL2492 | 1.00 | SIGMAR1 (1.00) | SIGMAR1OPRM1TMEM97OPRD1OPRK1 | |
| Rel-Pentazocine SCHEMBL135685 | 1.00 | SIGMAR1 (1.00) | SIGMAR1OPRM1TMEM97OPRD1OPRK1 | |
| (+)-Pentazocine SCHEMBL16220021 | 1.00 | SIGMAR1 (1.00) | SIGMAR1OPRM1TMEM97OPRD1OPRK1 | |
| (+)-Pentazocine SCHEMBL16144643 | 1.00 | SIGMAR1 (1.00) | SIGMAR1OPRM1TMEM97OPRD1OPRK1 | |
| (+)-Pentazocine SCHEMBL18672553 | 1.00 | SIGMAR1 (1.00) | SIGMAR1OPRM1TMEM97OPRD1OPRK1 | |
| (+)-Pentazocine SCHEMBL680675 | 1.00 | SIGMAR1 (1.00) | SIGMAR1OPRM1TMEM97OPRD1OPRK1 | |
| (+)-Pentazocine SCHEMBL22865258 | 1.00 | SIGMAR1 (1.00) | SIGMAR1OPRM1TMEM97OPRD1OPRK1 | |
| Pentazocine SCHEMBL29611805 | 1.00 | SIGMAR1 (1.00) | SIGMAR1OPRM1TMEM97OPRD1OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1091759-B1 | COMPOSITION FOR THE INDUCTION OF APOPTOSIS IN TARGET CELLS | UNIV DUNDEE (GB) | 2012-10-24 | — | — | EP | disclosed |
| US-20090298849-A1 | Materials and Methods Relating to the Induction of Apoptosis in Target Cells | SPRUCE BARBARA ANN | 2009-12-03 | — | — | US | disclosed |
| US-7572762-B1 | Materials and methods relating to the induction of apoptosis in target cells | UNIVERSITY OF DUNDEE (GB) | 2009-08-11 | — | — | US | disclosed |