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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8996014 | 0.81 | CTSD (0.49) | CTSDALDH1A1NPC1HPGDTP53 | |
| Iodide SCHEMBL8697992 | 0.79 | CES2 (0.44) | ALDH1A1NPC1HPGDTP53LMNA | |
| Iodide SCHEMBL8702586 | 0.79 | ALDH1A1 (0.42) | ALDH1A1NPC1HPGDTP53LMNA | |
| SCHEMBL8700447 | 0.78 | ALDH1A1 (0.49) | CTSDALDH1A1NPC1HPGDTP53 | |
| SCHEMBL13003559 | 0.75 | CTSD (0.53) | CTSDALDH1A1NPC1HPGDTP53 | |
| SCHEMBL17114455 | 0.75 | CTSD (0.53) | CTSDALDH1A1NPC1HPGDTP53 | |
| Iodide SCHEMBL8702484 | 0.75 | MEN1 (0.31) | ALDH1A1HPGDLMNATSHRMAPT | |
| SCHEMBL11931825 | 0.75 | CTSD (0.43) | CTSDALDH1A1NPC1HPGDTP53 | |
| SCHEMBL2124715 | 0.74 | CTSD (0.51) | CTSDALDH1A1NPC1HPGDTP53 | |
| SCHEMBL5310471 | 0.74 | CTSD (0.51) | CTSDALDH1A1NPC1HPGDTP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998003479-A1 | NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-01-29 | — | — | WO | disclosed |