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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 2/20 | 0.31 |
| ▸ | GBA3 | Q9H227 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 4/20 | 0.30 |
| ▸ | CES1 | P23141 | 4/20 | 0.30 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.30 |
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 SCHEMBL8915795 | 1.00 | CES2 (0.33) | CES2GMNNTP53POLBMAPT | |
| Iodide SCHEMBL8913728 | 0.93 | CES2 (0.33) | CES2GMNNTP53POLBMAPT | |
| SCHEMBL29210358 | 0.85 | CES2 (0.38) | CES2GMNNTP53POLBMAPT | |
| Iodide SCHEMBL1735058 | 0.82 | GUSB (0.37) | THRBFAAH | |
| Iodide SCHEMBL5087913 | 0.82 | GUSB (0.37) | THRBFAAH | |
| Iodide SCHEMBL926315 | 0.82 | GUSB (0.37) | THRBFAAH | |
| Iodide SCHEMBL5091920 | 0.82 | GUSB (0.37) | THRBFAAH | |
| Iodide SCHEMBL594562 | 0.82 | GUSB (0.37) | THRBFAAH | |
| Iodide SCHEMBL5087102 | 0.82 | GUSB (0.37) | THRBFAAH | |
| Iodide SCHEMBL2125638 | 0.82 | GUSB (0.37) | THRBFAAH |
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 |
|---|---|---|---|---|---|---|---|
| US-5614548-A | TREATING TUMORS AND HIV INFECTION, PROTEIN KINASE C INHIBITORS | WAKE FOREST UNIVERSITY (US) | 1997-03-25 | — | — | US | disclosed |
| WO-1990004918-A2 | QUATERNARY AMINE CONTAINING ETHER OR ESTER LIPID DERIVATIVES AND THERAPEUTIC COMPOSITIONS | WAKE FOREST UNIVERSITY (US) | 1990-05-17 | — | — | WO | disclosed |