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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.60 |
| ▸ | SNCA | P37840 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 3/20 | 0.43 |
| ▸ | CHAT | P28329 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
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 SCHEMBL9329244 | 1.00 | PTGS1 (0.60) | PTGS1SNCAACHECA12CA1 | |
| Iodide SCHEMBL9328670 | 0.91 | PTGS1 (0.59) | PTGS1SNCAACHECA12CA1 | |
| Iodide SCHEMBL9328674 | 0.91 | PTGS1 (0.59) | PTGS1SNCAACHECA12CA1 | |
| Iodide SCHEMBL9483306 | 0.88 | SNCA (0.51) | PTGS1SNCAPOLB | |
| Iodide SCHEMBL9483309 | 0.88 | SNCA (0.51) | PTGS1SNCAPOLB | |
| Iodide SCHEMBL9483304 | 0.88 | SNCA (0.51) | PTGS1SNCAPOLB | |
| Iodide SCHEMBL9329198 | 0.83 | PTGS1 (0.66) | PTGS1SNCAACHECA12CA1 | |
| Iodide SCHEMBL9329202 | 0.83 | PTGS1 (0.66) | PTGS1SNCAACHECA12CA1 | |
| Iodide SCHEMBL9328760 | 0.82 | POLB (0.64) | PTGS1SNCAACHECA12CA1 | |
| Iodide SCHEMBL9328762 | 0.82 | POLB (0.64) | PTGS1SNCAACHECA12CA1 |
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-0375723-B1 | SUBSTRATES FOR THE ASSAY OF ENZYMES | KING S COLLEGE LONDON (GB) | 1994-03-23 | — | — | EP | disclosed |
| US-5221606-A | REAGENT AND KIT FOR ENZYME ASSAY COMPRISING A SUBSTRATE CONSONANT WITH GIVEN ENZYME TO BE ASSAYED | KING'S COLLEGE LONDON (GB) | 1993-06-22 | — | — | US | disclosed |