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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.65 |
| ▸ | MAOA | P21397 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.65 |
| ▸ | HTR3A | P46098 | 1/20 | 0.65 |
| ▸ | BLM | P54132 | 2/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | SCN1A | P35498 | 4/20 | 0.62 |
| ▸ | SCN2A | Q99250 | 4/20 | 0.62 |
| ▸ | SCN3A | Q9NY46 | 4/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL1021919 | 0.96 | HRH3 (0.63) | HRH3MAOATSHRCYP2D6HTR3A | |
| Sulfuric Acid SCHEMBL1020243 | 0.93 | MAOA (0.60) | HRH3MAOATSHRCYP2D6HTR3A | |
| SCHEMBL94128 | 0.85 | HRH3 (0.68) | HRH3MAOATSHRCYP2D6HTR3A | |
| SCHEMBL4295410 | 0.85 | HRH3 (0.68) | HRH3MAOATSHRCYP2D6HTR3A | |
| P-Butylaminobenzoyldiethylaminoethyl SCHEMBL503019 | 0.85 | SCN1A (0.79) | HRH3MAOATSHRCYP2D6HTR3A | |
| SCHEMBL4916550 | 0.85 | HRH3 (0.60) | HRH3MAOATSHRCYP2D6HTR3A | |
| SCHEMBL6677 | 0.84 | HRH3 (0.67) | HRH3MAOATSHRCYP2D6HTR3A | |
| SCHEMBL9576578 | 0.84 | HRH3 (0.71) | HRH3MAOATSHRCYP2D6HTR3A | |
| P-Butylaminobenzoyldiethylaminoethyl SCHEMBL503018 | 0.84 | LMNA (0.79) | HRH3MAOATSHRCYP2D6HTR3A | |
| Hydrochloric Acid SCHEMBL24097 | 0.83 | BLM (0.68) | HRH3MAOATSHRCYP2D6HTR3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1776333-B1 | AMMONIUM SALTS AND AMMONIUM SALT/MINERAL SALT CLATHRATE COMPOUNDS FOR USE AS VEHICLE AND EFFECTIVE FORM FOR PHARMACO-MEDICAL APPLICATIONS AND FOR USE AS PHASE TRANSFER AGENTS FOR CHEMICAL APPLICATIONS | KASCH HELMUT (DE) | 2011-01-12 | — | — | EP | disclosed |