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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 8/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SNCA | P37840 | 2/20 | 0.33 |
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 SCHEMBL1054412 | 0.96 | HIF1A (0.50) | HIF1ACYP2C19ALDH1A1TSHRCYP1A2 | |
| Phosphine SCHEMBL28043762 | 0.93 | HIF1A (0.48) | HIF1ACYP2C19ALDH1A1TSHRCYP1A2 | |
| Bromide SCHEMBL28054108 | 0.91 | HIF1A (0.46) | HIF1ACYP2C19ALDH1A1TSHRCYP1A2 | |
| Bromide SCHEMBL161017 | 0.91 | HIF1A (0.50) | HIF1ACYP2C19ALDH1A1TSHRCYP1A2 | |
| Water SCHEMBL3422252 | 0.91 | HIF1A (0.50) | HIF1ACYP2C19ALDH1A1TSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL477383 | 0.91 | HIF1A (0.50) | HIF1ACYP2C19ALDH1A1TSHRCYP1A2 | |
| SCHEMBL9180560 | 0.85 | HIF1A (0.44) | HIF1ACYP2C19ALDH1A1TSHRCYP1A2 | |
| SCHEMBL28131525 | 0.85 | HIF1A (0.44) | HIF1ACYP2C19ALDH1A1TSHRCYP1A2 | |
| SCHEMBL8972925 | 0.85 | HIF1A (0.44) | HIF1ACYP2C19ALDH1A1TSHRCYP1A2 | |
| Perchlorate SCHEMBL11848103 | 0.85 | HIF1A (0.44) | HIF1ACYP2C19ALDH1A1TSHRCYP1A2 |
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-104004527-B | A kind of liquid crystalline cpd and its preparation method and application | BEIJING BAYI SPACE LCD MATERIALS TECHNOLOGY CO., LTD. (CN) | 2016-02-10 | — | — | CN | disclosed |