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 | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 6/20 | 0.54 |
| ▸ | NOS3 | P29474 | 5/20 | 0.54 |
| ▸ | CCR1 | P32246 | 4/20 | 0.44 |
| ▸ | CCR5 | P51681 | 4/20 | 0.44 |
| ▸ | CCR8 | P51685 | 4/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7488 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1936574 | 0.94 | NOS2 (0.54) | NOS2NOS3CCR1CCR5CCR8 | |
| Iodide SCHEMBL27713885 | 0.94 | NOS2 (0.54) | NOS2NOS3CCR1CCR5CCR8 | |
| Ammonia Solution, Strong SCHEMBL22612697 | 0.94 | NOS2 (0.54) | NOS2NOS3CCR1CCR5CCR8 | |
| Fluoride SCHEMBL2020932 | 0.94 | NOS2 (0.54) | NOS2NOS3CCR1CCR5CCR8 | |
| Bromide SCHEMBL10623434 | 0.94 | NOS2 (0.54) | NOS2NOS3CCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL27389327 | 0.94 | NOS2 (0.54) | NOS2NOS3CCR1CCR5CCR8 | |
| SCHEMBL29125217 | 0.94 | — | — | |
| SCHEMBL28159018 | 0.92 | NOS2 (0.52) | NOS2NOS3CCR1CCR5CCR8 | |
| SCHEMBL28154839 | 0.87 | NOS2 (0.48) | NOS2NOS3CCR1CCR5CCR8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106745033-A | The method for synthesizing RTH zeolite molecular sieves using pyridine radicals organic formwork agent | 浙江大学 | 2017-05-31 | — | — | CN | claimed |
| US-4447637-A | Epimerization of trans chrysanthemates | ROUSSEL UCLAF (FR) | 1984-05-08 | — | — | US | claimed |
| CN-106745033-A | The method for synthesizing RTH zeolite molecular sieves using pyridine radicals organic formwork agent | 浙江大学 | 2017-05-31 | — | — | CN | disclosed |
| US-4447637-A | Epimerization of trans chrysanthemates | ROUSSEL UCLAF (FR) | 1984-05-08 | — | — | US | disclosed |