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 | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 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 | 4/20 | 0.38 |
| ▸ | NOS1 | P29475 | 4/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12918148 | 0.99 | CHEK1 (0.41) | CHEK1HTR3EHTR3BHTR3AHTR3D | |
| Iodide SCHEMBL964547 | 0.83 | IMPDH2 (0.43) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL12918145 | 0.81 | IMPDH2 (0.44) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL960141 | 0.75 | NPC1 (0.44) | CHEK1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL964682 | 0.73 | ACHE (0.53) | CHEK1NPC1RAB9ATP53SMN1; SMN2 | |
| Iodide SCHEMBL964663 | 0.73 | HTR3E (0.39) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Iodide SCHEMBL2539386 | 0.72 | HTR3E (0.38) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL12918156 | 0.71 | HTR3E (0.40) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL961713 | 0.71 | PSEN1 (0.45) | CHEK1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL4854918 | 0.71 | CHEK1 (0.48) | CHEK1NPC1RAB9ATP53SMN1; SMN2 |
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 3 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 |
| US-20110015175-A1 | Bicyclic Compounds for the Reduction of Beta-Amyloid Production | BRISTOL-MYERS SQUIBB COMPANY | 2011-01-20 | — | — | US | 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 | CHEK1 4705/4885HTR3E 3947/4885HTR3B 2529/4885 |
“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.