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 | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 7/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | POLQ | O75417 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | PLAT | P00750 | 1/20 | 0.33 |
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 SCHEMBL2539138 | 0.87 | AAK1 (0.33) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Iodide SCHEMBL964663 | 0.86 | HTR3E (0.39) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL12918156 | 0.85 | HTR3E (0.40) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL962710 | 0.77 | PSEN1 (0.37) | IMPDH2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL16398210 | 0.75 | IMPDH2 (0.48) | IMPDH2PSEN1PSEN2APH1BNCSTN | |
| Hydrochloric Acid SCHEMBL962613 | 0.74 | IMPDH2 (0.47) | IMPDH2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL961604 | 0.73 | AAK1 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL16398589 | 0.72 | GABRG2 (0.43) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Iodide SCHEMBL964231 | 0.68 | PSEN1 (0.42) | IMPDH2PSEN1PSEN2APH1BNCSTN | |
| Iodide SCHEMBL964573 | 0.63 | AAK1 (0.45) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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-2010083141-A1 | BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-22 | — | — | WO | disclosed |