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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 SCHEMBL4094937 | 0.76 | ALDH1A1 (0.51) | ALDH1A1LMNASMN1; SMN2MAPTPOLB | |
| SCHEMBL12923308 | 0.74 | KDM4E (0.48) | ALDH1A1LMNAKDM4EL3MBTL1CHRNA4 | |
| SCHEMBL7060665 | 0.73 | KDM4E (0.49) | ALDH1A1LMNAKDM4EL3MBTL1CHRNA4 | |
| SCHEMBL7059619 | 0.72 | CHRNA7 (0.53) | ALDH1A1CHRNA4POLB | |
| SCHEMBL6498619 | 0.72 | CHRNA4 (0.51) | ALDH1A1LMNAKDM4EL3MBTL1CHRNA4 | |
| Iodide SCHEMBL979604 | 0.71 | KDM4E (0.45) | ALDH1A1LMNAKDM4EL3MBTL1CHRNA4 | |
| SCHEMBL7224621 | 0.71 | KDM4E (0.47) | ALDH1A1LMNAKDM4EL3MBTL1CHRNA4 | |
| SCHEMBL2109722 | 0.70 | ALDH1A1 (0.69) | ALDH1A1LMNAKDM4EL3MBTL1CHRNA4 | |
| Trifluoroacetic Acid SCHEMBL978175 | 0.69 | KDM4E (0.42) | ALDH1A1LMNAKDM4EL3MBTL1CHRNA4 | |
| Hydrochloric Acid SCHEMBL3323816 | 0.68 | ALDH1A1 (0.67) | ALDH1A1LMNAKDM4EL3MBTL1CHRNA4 |
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-2009015485-A1 | CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | UNIVERSITY HEALTH NETWORK (CA) | 2009-02-05 | — | — | WO | disclosed |