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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.54 |
| ▸ | NOS2 | P35228 | 3/20 | 0.54 |
| ▸ | NOS1 | P29475 | 2/20 | 0.54 |
| ▸ | CCR1 | P32246 | 3/20 | 0.42 |
| ▸ | CCR5 | P51681 | 3/20 | 0.42 |
| ▸ | CCR8 | P51685 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | UHRF1 | Q96T88 | 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 | |
|---|---|---|---|---|
| SCHEMBL9784696 | 0.97 | NOS3 (0.56) | NOS3NOS2NOS1CCR1CCR5 | |
| SCHEMBL29382337 | 0.97 | — | — | |
| SCHEMBL7487 | 0.97 | — | — | |
| SCHEMBL29735919 | 0.94 | NOS3 (0.54) | NOS3NOS2NOS1CCR1CCR5 | |
| Fluoride SCHEMBL3185683 | 0.94 | NOS3 (0.54) | NOS3NOS2NOS1CCR1CCR5 | |
| Hydrochloric Acid SCHEMBL1936573 | 0.94 | NOS3 (0.54) | NOS3NOS2NOS1CCR1CCR5 | |
| Hydrogen Sulfide SCHEMBL5051770 | 0.94 | NOS3 (0.54) | NOS3NOS2NOS1CCR1CCR5 | |
| Bromide SCHEMBL10623431 | 0.94 | NOS3 (0.54) | NOS3NOS2NOS1CCR1CCR5 | |
| Acetonitrile SCHEMBL27689078 | 0.85 | NOS3 (0.46) | NOS3NOS2NOS1CCR1CCR5 | |
| Sulfuric Acid SCHEMBL6156209 | 0.84 | NOS3 (0.45) | NOS3NOS2NOS1CCR1CCR5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4447637-A | Epimerization of trans chrysanthemates | ROUSSEL UCLAF (FR) | 1984-05-08 | — | — | US | claimed |
| US-4447637-A | Epimerization of trans chrysanthemates | ROUSSEL UCLAF (FR) | 1984-05-08 | — | — | US | disclosed |