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 | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 4/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 3/20 | 0.38 |
| ▸ | NOS1 | P29475 | 3/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12918153 | 0.99 | AAK1 (0.46) | AAK1PLAUUSP30FYNERN1 | |
| Iodide SCHEMBL964663 | 0.77 | HTR3E (0.39) | AAK1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL12918156 | 0.76 | HTR3E (0.40) | AAK1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL963976 | 0.75 | AAK1 (0.44) | AAK1PLAUUSP30FYNERN1 | |
| SCHEMBL29877325 | 0.73 | AAK1 (0.52) | AAK1PLAUUSP30ERN1PSEN1 | |
| SCHEMBL512461 | 0.73 | AAK1 (0.52) | AAK1PLAUUSP30ERN1PSEN1 | |
| SCHEMBL19998607 | 0.72 | AAK1 (0.50) | AAK1PLAUUSP30FYNERN1 | |
| Iodide SCHEMBL2539386 | 0.72 | HTR3E (0.38) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Iodide SCHEMBL964547 | 0.71 | IMPDH2 (0.43) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL961096 | 0.71 | AAK1 (0.64) | AAK1PLAUUSP30PSEN1PSEN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379553-B1 | BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL MYERS SQUIBB CO (US) | 2013-06-26 | — | — | EP | disclosed |
| US-8349880-B2 | Bicyclic compounds for the reduction of beta-amyloid production | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-08 | — | — | US | disclosed |
| EP-2379553-A1 | BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | Bristol-Myers Squibb Company (US) | 2011-10-26 | — | — | EP | disclosed |
| US-20110015175-A1 | Bicyclic Compounds for the Reduction of Beta-Amyloid Production | BRISTOL-MYERS SQUIBB COMPANY | 2011-01-20 | — | — | US | disclosed |
| WO-2010083141-A1 | BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-22 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110015175-A1 | Bicyclic Compounds for the Reduction of Beta-Amyloid Production | APP, BACE1, APBA1 | AAK1 837/4885PLAU 2579/4885USP30 3929/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.