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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11355870 | 1.00 | CYP3A4 (0.44) | CYP3A4TDP1DRD1GABRA1GABRB2 | |
| SCHEMBL1727172 | 0.98 | CYP3A4 (0.46) | CYP3A4TDP1DRD1GABRA1GABRB2 | |
| SCHEMBL29595366 | 0.98 | CYP3A4 (0.46) | CYP3A4TDP1DRD1GABRA1GABRB2 | |
| Bromide SCHEMBL29496481 | 0.96 | CYP3A4 (0.44) | CYP3A4TDP1DRD1GABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL29496457 | 0.96 | CYP3A4 (0.44) | CYP3A4TDP1DRD1GABRA1GABRB2 | |
| SCHEMBL20873233 | 0.94 | CYP3A4 (0.42) | CYP3A4TDP1DRD1GABRA1GABRB2 | |
| SCHEMBL5988443 | 0.94 | CYP3A4 (0.46) | CYP3A4TDP1DRD1GABRA1GABRB2 | |
| Acetic Acid SCHEMBL29452750 | 0.92 | CYP3A4 (0.41) | CYP3A4TDP1DRD1GABRA1GABRB2 | |
| SCHEMBL31021038 | 0.89 | CYP3A4 (0.38) | CYP3A4TDP1DRD1GABRA1GABRB2 | |
| Pyruvate SCHEMBL30395249 | 0.89 | CYP3A4 (0.38) | CYP3A4TDP1DRD1GABRA1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5760107-A | CORROSION RESISTANCE | PPG INDUSTRIES, INC. (US) | 1998-06-02 | — | — | US | disclosed |