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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.57 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.56 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.56 |
| ▸ | PPARA | Q07869 | 10/20 | 0.56 |
| ▸ | PPARG | P37231 | 9/20 | 0.56 |
| ▸ | PPARD | Q03181 | 2/20 | 0.56 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.55 |
| ▸ | ITGAV | P06756 | 1/20 | 0.55 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.55 |
| ▸ | CTSS | P25774 | 6/20 | 0.51 |
| ▸ | CTSK | P43235 | 5/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.50 |
| ▸ | CTSB | P07858 | 1/20 | 0.50 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.49 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7394803 | 0.99 | ACE (0.58) | ACEITGB3ITGA2BPPARAPPARG | |
| SCHEMBL7394806 | 0.99 | ACE (0.58) | ACEITGB3ITGA2BPPARAPPARG | |
| Hydrochloric Acid SCHEMBL5671540 | 0.98 | ACE (0.57) | ACEITGB3ITGA2BPPARAPPARG | |
| SCHEMBL14250272 | 0.89 | ACE (0.60) | ACEITGB3ITGA2BPPARAPPARG | |
| SCHEMBL21683121 | 0.89 | ACE (0.60) | ACEITGB3ITGA2BPPARAPPARG | |
| SCHEMBL6247819 | 0.89 | ACE (0.60) | ACEITGB3ITGA2BPPARAPPARG | |
| SCHEMBL27341117 | 0.86 | ACE (0.58) | ACEITGB3ITGA2BPPARAPPARG | |
| SCHEMBL7296608 | 0.86 | ACE (0.58) | ACEITGB3ITGA2BPPARAPPARG | |
| SCHEMBL7388523 | 0.86 | ACE (0.62) | ACEITGB3ITGA2BPPARAPPARG | |
| SCHEMBL7388520 | 0.86 | ACE (0.62) | ACEITGB3ITGA2BPPARAPPARG |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5574016-A | Peptide compound and a process for the preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-11-12 | — | — | US | disclosed |
| EP-0513675-B1 | New peptide compound and a process for the preparation thereof | FUJISAWA PHARMACEUTICAL CO (JP) | 1996-09-11 | — | — | EP | disclosed |
| EP-0513675-A1 | New peptide compound and a process for the preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1992-11-19 | — | — | EP | disclosed |