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 | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 8/20 | 0.38 |
| ▸ | CHAT | P28329 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
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 SCHEMBL7089742 | 1.00 | MAOB (0.42) | MAOBCYP19A1MAOACYP1A2CHRNA7 | |
| Bromide SCHEMBL17048069 | 0.75 | MAOB (0.48) | MAOBCYP19A1MAOACYP1A2CHAT | |
| SCHEMBL28732827 | 0.73 | MAOB (0.46) | MAOBCYP19A1MAOACYP1A2ALDH1A1 | |
| SCHEMBL19452720 | 0.73 | MAOB (0.46) | MAOBCYP1A2CHATTRPA1 | |
| Iodide SCHEMBL28620588 | 0.70 | MAOB (0.48) | MAOBCYP1A2CHRNA7CHATALDH1A1 | |
| SCHEMBL11615844 | 0.67 | MAOB (0.50) | MAOBCYP19A1MAOACYP1A2CHAT | |
| SCHEMBL5275190 | 0.67 | MAOB (0.50) | MAOBCYP19A1MAOACYP1A2CHAT | |
| SCHEMBL11615845 | 0.67 | MAOB (0.50) | MAOBCYP19A1MAOACYP1A2CHAT | |
| SCHEMBL7898779 | 0.67 | CYP1A2 (0.52) | MAOBCYP19A1MAOACYP1A2ALDH1A1 | |
| SCHEMBL7593075 | 0.67 | CYP1A2 (0.52) | MAOBCYP19A1MAOACYP1A2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1098893-B1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GMBH (DE) | 2003-03-26 | — | — | EP | disclosed |
| US-6528538-B1 | Reaction of 1,3-propanediol derivative with a ketone or aldehyde | MERCK PATENTGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | disclosed |
| EP-1098893-A1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GmbH (DE) | 2001-05-16 | — | — | EP | disclosed |
| WO-2000004011-A1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GMBH (DE) | 2000-01-27 | — | — | WO | disclosed |