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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
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 SCHEMBL10901796 | 0.83 | APP (0.51) | ALDH1A1KDM4EHSD17B10CYP3A4HPGD | |
| Iodide SCHEMBL10901629 | 0.82 | APP (0.65) | ALDH1A1KDM4EHSD17B10CYP3A4HPGD | |
| Iodide SCHEMBL10899799 | 0.81 | MAOB (0.42) | CALCRLESR1ESR2 | |
| Iodide SCHEMBL8300108 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KDM4EESR1ESR2MEN1 | |
| SCHEMBL10903343 | 0.78 | PDGFRB (0.49) | ALDH1A1KDM4EHSD17B10CYP3A4HPGD | |
| Iodide SCHEMBL10902249 | 0.76 | MAOB (0.66) | ALDH1A1KDM4EHSD17B10CYP3A4HPGD | |
| Iodide SCHEMBL10900572 | 0.76 | MAOB (0.49) | ALDH1A1KDM4EHSD17B10CYP3A4HPGD | |
| Iodide SCHEMBL10901650 | 0.76 | F2RL3 (0.41) | ESR1ESR2 | |
| Iodide SCHEMBL10901680 | 0.76 | HIF1A (0.37) | ESR1ESR2 | |
| Iodide SCHEMBL10901815 | 0.75 | SHBG (0.42) | CALCRLAPPPTPN1AR |
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-4600719-A | Tetrahydropyridine and piperidine derivatives | CIBA GEIGY CORPORATION (US) | 1986-07-15 | — | — | US | disclosed |
| US-4210655-A | Anti-depressant benzofuranyl piperidines | CIBA-GEIGY CORPORATION (US) | 1980-07-01 | — | — | US | disclosed |