Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.33 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.33 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | PRKCB | P05771 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | LYN | P07948 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.32 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL31079961 | 1.00 | PDK2 (0.34) | PDK2DYRK1ATPSAB1TPSD1TPSG1 | |
| Iodide SCHEMBL18990792 | 1.00 | PDK2 (0.34) | PDK2DYRK1ATPSAB1TPSD1TPSG1 | |
| Iodide SCHEMBL20566154 | 0.92 | ALOX5AP (0.37) | PDK2DYRK1ATPSAB1TPSD1TPSG1 | |
| Iodide SCHEMBL18991076 | 0.92 | ALOX5AP (0.37) | PDK2DYRK1ATPSAB1TPSD1TPSG1 | |
| Iodide SCHEMBL20566130 | 0.90 | MMP2 (0.36) | DYRK1ATPSAB1TPSD1TPSG1PDPK1 | |
| Iodide SCHEMBL20566128 | 0.90 | MMP2 (0.36) | DYRK1ATPSAB1TPSD1TPSG1PDPK1 | |
| SCHEMBL20567499 | 0.89 | MMP2 (0.37) | DYRK1ATPSAB1TPSD1TPSG1PDPK1 | |
| SCHEMBL19027487 | 0.89 | MMP2 (0.37) | DYRK1ATPSAB1TPSD1TPSG1PDPK1 | |
| SCHEMBL18991170 | 0.87 | PDK2 (0.36) | PDK2DYRK1ATPSAB1TPSD1TPSG1 | |
| SCHEMBL18991172 | 0.87 | PDK2 (0.36) | PDK2DYRK1ATPSAB1TPSD1TPSG1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3978472-B1 | BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME LLC (US) | 2024-10-16 | — | — | EP | disclosed |
| EP-3978472-A1 | BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME CORP. (US) | 2022-04-06 | — | — | EP | disclosed |
| US-11230543-B2 | Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections | MERCK SHARP & DOHME CORP. (US) | 2022-01-25 | — | — | US | disclosed |
| EP-3390357-B1 | BIARYL MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME (US) | 2021-11-10 | — | — | EP | disclosed |
| US-20200361928-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME CORP. (US) | 2020-11-19 | — | — | US | disclosed |
| US-20180339983-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME CORP. (US) | 2018-11-29 | — | — | US | disclosed |
| EP-3390357-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | Merck Sharp & Dohme Corp. (US) | 2018-10-24 | — | — | EP | disclosed |
| WO-2017106064-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME CORP. (US) | 2017-06-22 | — | — | WO | 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 (3 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-20180339983-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | BMX, BTK, ABCB11 | PDK2 4365/4885DYRK1A 311/4885TPSAB1 443/4885 |
| US-11230543-B2 | Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections | SQLE, ABCB11, BMX | PDK2 4062/4885DYRK1A 285/4885TPSAB1 343/4885 |
| US-20200361928-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | ABCB11, SQLE, BMX | PDK2 4251/4885DYRK1A 290/4885TPSAB1 375/4885 |
“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.