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 | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 2/20 | 0.34 |
| ▸ | SMURF2 | Q9HAU4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11407168 | 0.98 | JAK3 (0.38) | JAK3RAB9AHTTNPC1MEN1 | |
| SCHEMBL11160172 | 0.80 | JAK3 (0.37) | JAK3RAB9AHTTNPC1MEN1 | |
| Iodide SCHEMBL11164225 | 0.78 | RAB9A (0.48) | RAB9AHTTNPC1MEN1KMT2A | |
| SCHEMBL878961 | 0.77 | CA1 (0.51) | JAK3RAB9AHTTNPC1KMT2A | |
| SCHEMBL11283209 | 0.74 | NPC1 (0.43) | JAK3RAB9AHTTNPC1MEN1 | |
| SCHEMBL11149788 | 0.74 | HDAC3 (0.43) | JAK3RAB9AHTTNPC1MEN1 | |
| Iodide SCHEMBL11164129 | 0.73 | LMNA (0.44) | RAB9ANPC1MEN1KMT2ACYP1A2 | |
| SCHEMBL9912402 | 0.72 | JAK3 (0.34) | JAK3RAB9AHTTNPC1CYP1A2 | |
| SCHEMBL13064244 | 0.71 | CA1 (0.44) | RAB9ANPC1MEN1KMT2ACYP1A2 | |
| SCHEMBL31329660 | 0.71 | ALDH1A1 (0.41) | JAK3RAB9AHTTNPC1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4341788-A | CARDIOTONIC AGENTS; RETARDERS; ANTIARRHYTHMIA AGENTS | C. H. BOEHRINGER SOHN (DE) | 1982-07-27 | — | — | US | disclosed |