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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 10/20 | 0.83 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.83 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.83 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.83 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 0.83 |
| ▸ | EBP | Q15125 | 2/20 | 0.83 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
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 SCHEMBL42094 | 0.94 | SIGMAR1 (0.83) | SIGMAR1OPRM1OPRD1OPRK1TMEM97 | |
| (+)-Pentazocine SCHEMBL3665045 | 0.94 | SIGMAR1 (0.83) | SIGMAR1OPRM1OPRD1OPRK1TMEM97 | |
| Pentazocine SCHEMBL16107180 | 0.94 | SIGMAR1 (0.83) | SIGMAR1OPRM1OPRD1OPRK1TMEM97 | |
| Rel-Pentazocine SCHEMBL135685 | 0.91 | SIGMAR1 (1.00) | SIGMAR1OPRM1OPRD1OPRK1TMEM97 | |
| (+)-Pentazocine SCHEMBL680675 | 0.91 | SIGMAR1 (1.00) | SIGMAR1OPRM1OPRD1OPRK1TMEM97 | |
| Pentazocine SCHEMBL2493 | 0.91 | SIGMAR1 (1.00) | SIGMAR1OPRM1OPRD1OPRK1TMEM97 | |
| (+)-Pentazocine SCHEMBL4376337 | 0.91 | SIGMAR1 (1.00) | SIGMAR1OPRM1OPRD1OPRK1TMEM97 | |
| (+)-Pentazocine SCHEMBL16220021 | 0.91 | SIGMAR1 (1.00) | SIGMAR1OPRM1OPRD1OPRK1TMEM97 | |
| (+)-Pentazocine SCHEMBL22865258 | 0.91 | SIGMAR1 (1.00) | SIGMAR1OPRM1OPRD1OPRK1TMEM97 | |
| (+)-Pentazocine SCHEMBL18672553 | 0.91 | SIGMAR1 (1.00) | SIGMAR1OPRM1OPRD1OPRK1TMEM97 |
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-0782861-B1 | DRUG COMPOUNDING INGREDIENTS COMPRISING N-SUBSTITUTED-O-TOLUIDINE DERIVATIVE AND PERCUTANEOUSLY ABSORBABLE PREPARATION | HISAMITSU PHARMACEUTICAL CO (JP) | 2001-12-12 | — | — | EP | disclosed |
| US-5891920-A | Medicinal adjuvants consisting of N-subsitituted-o-toluidine derivatives, and percutaneously absorbable preparations comprising the adjuvants | HISAMITSU PHARMACEUTICAL CO., INC. (JP) | 1999-04-06 | — | — | US | disclosed |
| EP-0782861-A1 | DRUG COMPOUNDING INGREDIENTS COMPRISING N-SUBSTITUTED-O-TOLUIDINE DERIVATIVE AND PERCUTANEOUSLY ABSORBABLE PREPARATION | Hisamitsu Pharmaceutical Co., Inc. (JP) | 1997-07-09 | — | — | EP | disclosed |