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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8754365 | 0.98 | TDP1 (0.57) | TDP1ALDH1A1NPC1MAPTKDM4E | |
| SCHEMBL8725236 | 0.92 | TDP1 (0.50) | TDP1ALDH1A1NPC1MAPTKDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL23356562 | 0.86 | TDP1 (0.44) | TDP1ALDH1A1NPC1MAPTKDM4E | |
| SCHEMBL2796338 | 0.79 | TDP1 (0.59) | TDP1ALDH1A1NPC1MAPTKDM4E | |
| SCHEMBL57166 | 0.73 | TDP1 (1.00) | TDP1ALDH1A1GAAPOLBSMN1; SMN2 | |
| SCHEMBL29475175 | 0.73 | TDP1 (1.00) | TDP1ALDH1A1GAAPOLBSMN1; SMN2 | |
| SCHEMBL10256593 | 0.72 | TSHR (0.54) | TDP1ALDH1A1NPC1MAPTKDM4E | |
| Methyl Alcohol SCHEMBL28304524 | 0.72 | TDP1 (0.86) | TDP1ALDH1A1NPC1MAPTGAA | |
| SCHEMBL28093598 | 0.71 | TDP1 (0.95) | TDP1ALDH1A1NPC1MAPTGAA | |
| SCHEMBL13287319 | 0.71 | TDP1 (0.43) | TDP1ALDH1A1NPC1MAPTKDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110059979-A1 | Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators | GLAXO GROUP LIMITED (GB) | 2011-03-10 | — | — | US | disclosed |
| US-7442701-B2 | Amino-heterocycles as VR-1 antagonists for treating pain | MERCK SHARP & DOHME LTD. (GB) | 2008-10-28 | — | — | US | disclosed |
| EP-1562934-B1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME (GB) | 2008-03-26 | — | — | EP | disclosed |
| EP-1660481-A1 | PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2006-05-31 | — | — | EP | disclosed |
| US-20060040947-A1 | Amino-heterocycles as vr-1 antagonists for treating pain | MERCK SHARP & DOHME LTD. (GB) | 2006-02-23 | — | — | US | disclosed |
| EP-1562934-A1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2005-08-17 | — | — | EP | disclosed |
| WO-2005016915-A1 | PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2005-02-24 | — | — | WO | disclosed |
| WO-2004046133-A1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2004-06-03 | — | — | 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 (2 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-20110059979-A1 | Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators | TRPV1, CNR1, OPRM1 | TDP1 4475/4885ALDH1A1 1905/4885NPC1 623/4885 |
| US-20060040947-A1 | Amino-heterocycles as vr-1 antagonists for treating pain | OPRL1, CNR1, GPR6 | TDP1 4664/4885ALDH1A1 2473/4885NPC1 2069/4885 |
“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.