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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 8/20 | 0.33 |
| ▸ | HRH1 | P35367 | 8/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18960796 | 0.72 | HDAC1 (0.40) | HDAC3HDAC8NCOR2 | |
| Iodide SCHEMBL28670441 | 0.71 | TLR7 (0.32) | HRH2HRH1HDAC3HDAC8NCOR2 | |
| Iodide SCHEMBL28647683 | 0.67 | HDAC2 (0.37) | HRH2HRH1HDAC3TLR7 | |
| SCHEMBL18960800 | 0.64 | PCSK9 (0.38) | HDAC3HDAC8NCOR2 | |
| SCHEMBL16808253 | 0.63 | SLC2A1 (0.49) | HRH2HRH1 | |
| SCHEMBL5731734 | 0.61 | LOXL2 (0.49) | HDAC3NCOR2 | |
| Iodide SCHEMBL28647581 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL5846568 | 0.60 | LOXL2 (0.47) | HDAC3NCOR2 | |
| SCHEMBL7305490 | 0.60 | NR1H4 (0.45) | — | |
| SCHEMBL20713777 | 0.60 | CYP4A11 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108463461-B | Cephem compounds, their preparation and use | 奈加-RGM制药有限公司 | 2021-11-19 | — | — | CN | disclosed |