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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28973313 | 0.87 | ADORA2B (0.30) | — | |
| Iodide SCHEMBL28973311 | 0.86 | TSHR (0.31) | TSHR | |
| Iodide SCHEMBL28973364 | 0.85 | CYP1A2 (0.35) | — | |
| Iodide SCHEMBL28973365 | 0.81 | ADORA2B (0.38) | — | |
| Iodide SCHEMBL1609671 | 0.80 | KMT2A (0.32) | — | |
| SCHEMBL15075735 | 0.78 | L3MBTL1 (0.37) | TSHR | |
| SCHEMBL4058851 | 0.77 | KMT2A (0.33) | — | |
| Iodide SCHEMBL28973310 | 0.76 | CYP1A2 (0.35) | — | |
| SCHEMBL12713879 | 0.75 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL28973309 | 0.74 | CYP1A2 (0.31) | — |
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-115850279-A | Theophylline derived autoignition ionic salt and preparation method thereof | 哈尔滨工业大学（深圳） | 2023-03-28 | — | — | CN | disclosed |