Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Rocuronium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 1.00 |
| ▸ | AGTR1 | P30556 | 1/20 | 1.00 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.57 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.57 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Rocuronium SCHEMBL13790944 | 1.00 | KCNH2 (1.00) | KCNH2AGTR1HRH3SLC22A2SLC47A2 | |
| Rocuronium SCHEMBL13875772 | 1.00 | KCNH2 (1.00) | KCNH2AGTR1HRH3SLC22A2SLC47A2 | |
| Rocuronium SCHEMBL29958 | 1.00 | KCNH2 (1.00) | KCNH2AGTR1HRH3SLC22A2SLC47A2 | |
| Rocuronium SCHEMBL3823993 | 1.00 | KCNH2 (1.00) | KCNH2AGTR1HRH3SLC22A2SLC47A2 | |
| Rocuronium SCHEMBL3986752 | 0.99 | KCNH2 (0.99) | KCNH2AGTR1HRH3SLC22A2SLC47A2 | |
| Rocuronium SCHEMBL3835255 | 0.99 | KCNH2 (0.99) | KCNH2AGTR1HRH3SLC22A2SLC47A2 | |
| Rocuronium SCHEMBL3986751 | 0.99 | KCNH2 (0.99) | KCNH2AGTR1HRH3SLC22A2SLC47A2 | |
| Rocuronium SCHEMBL21623717 | 0.99 | KCNH2 (0.99) | KCNH2AGTR1HRH3SLC22A2SLC47A2 | |
| Rocuronium SCHEMBL41320 | 0.99 | KCNH2 (0.99) | KCNH2AGTR1HRH3SLC22A2SLC47A2 | |
| Rocuronium SCHEMBL1036090 | 0.99 | KCNH2 (0.99) | KCNH2AGTR1HRH3SLC22A2SLC47A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090156562-A1 | NOVEL COLORED SOLUTIONS OF INJECTABLE DRUGS AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS | WINCH PETER D | 2009-06-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090156562-A1 | NOVEL COLORED SOLUTIONS OF INJECTABLE DRUGS AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS | CYP3A5, IK, ACHE | KCNH2 561/4885AGTR1 3325/4885HRH3 555/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.