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 | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL55578 | 0.98 | TAAR1 (0.50) | TAAR1MAPK1ALDH1A1ALOX15KCNN4 | |
| Phosphine SCHEMBL9467574 | 0.96 | TAAR1 (0.48) | TAAR1MAPK1ALDH1A1ALOX15KCNN4 | |
| SCHEMBL9144235 | 0.96 | TAAR1 (0.48) | TAAR1MAPK1ALDH1A1ALOX15KCNN4 | |
| Inositol SCHEMBL3079466 | 0.89 | TAAR1 (0.42) | TAAR1MAPK1ALDH1A1ALOX15KCNN4 | |
| Phosphoric Acid SCHEMBL6689741 | 0.87 | TAAR1 (0.41) | TAAR1MAPK1ALDH1A1ALOX15KCNN4 | |
| Sulfuric Acid SCHEMBL9177660 | 0.87 | TAAR1 (0.41) | TAAR1MAPK1ALDH1A1ALOX15KCNN4 | |
| Acetic Acid SCHEMBL3397599 | 0.87 | CYP2C19 (0.42) | TAAR1MAPK1ALDH1A1ALOX15KCNN4 | |
| Phosphoric Acid SCHEMBL5665038 | 0.87 | TAAR1 (0.41) | TAAR1MAPK1ALDH1A1ALOX15KCNN4 | |
| SCHEMBL17799783 | 0.87 | TAAR1 (0.41) | TAAR1MAPK1ALDH1A1ALOX15KCNN4 | |
| E968 SCHEMBL22472350 | 0.84 | TAAR1 (0.39) | TAAR1MAPK1ALDH1A1ALOX15CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1417279-A2 | TRIBOLUMINESCENT MATERIALS AND DEVICES CONTAINING THEM | Qinetiq Limited (GB) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003016428-A2 | TRIBOLUMINESCENT MATERIALS AND DEVICES CONTAINING THEM | QINETIQ LIMITED (GB) | 2003-02-27 | — | — | WO | disclosed |