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 | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 19/20 | 0.58 |
| ▸ | GSK3B | P49841 | 19/20 | 0.58 |
| ▸ | CDK1 | P06493 | 18/20 | 0.58 |
| ▸ | CCNB2 | O95067 | 17/20 | 0.58 |
| ▸ | CCNB1 | P14635 | 17/20 | 0.58 |
| ▸ | CCNB3 | Q8WWL7 | 17/20 | 0.58 |
| ▸ | CDK5 | Q00535 | 13/20 | 0.58 |
| ▸ | CDK5R1 | Q15078 | 12/20 | 0.58 |
| ▸ | CDK2 | P24941 | 3/20 | 0.56 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.56 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.56 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.56 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.49 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.49 |
| ▸ | INSR | P06213 | 1/20 | 0.49 |
| ▸ | CFTR | P13569 | 1/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.49 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.49 |
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 SCHEMBL1779435 | 0.86 | GSK3A (0.69) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| Iodide SCHEMBL1777519 | 0.81 | GSK3A (0.63) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| SCHEMBL6852911 | 0.80 | GSK3A (0.67) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| Iodide SCHEMBL5618949 | 0.79 | GSK3A (0.60) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| SCHEMBL6851003 | 0.78 | CDK5 (0.61) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| SCHEMBL6846771 | 0.78 | GSK3A (0.61) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| SCHEMBL6852671 | 0.77 | GSK3A (0.58) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| Iodide SCHEMBL3224491 | 0.72 | GSK3A (0.56) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| Aloisine SCHEMBL79714 | 0.72 | GSK3A (1.00) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| SCHEMBL491260 | 0.70 | GSK3A (1.00) | GSK3AGSK3BCDK1CCNB2CCNB1 |
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-1397360-A1 | AZAINDOLES | Aventis Pharma Limited (GB) | 2004-03-17 | — | — | EP | disclosed |
| WO-2003000688-A1 | AZAINDOLES | AVENTIS PHARMA LIMITED (GB) | 2003-01-03 | — | — | WO | disclosed |