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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2685431 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Bromide SCHEMBL5088078 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Fluoride Ion SCHEMBL5246642 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Iodide SCHEMBL5091410 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Water SCHEMBL7721938 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Iodide SCHEMBL5086904 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Fluoride Ion SCHEMBL65871 | 0.93 | TP53 (0.46) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL2526828 | 0.90 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL5085369 | 0.90 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Fluoride Ion SCHEMBL11373889 | 0.90 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080214386-A1 | Stability; easily separated from solution; surface treatment of catalyst with Group seven compound; reacting epoxide with carbon dioxide | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2008-09-04 | — | — | US | disclosed |
| US-6806387-B2 | A STARTING MATERIAL FOR VITAMIN A DERIVATIVES AND VARIOUS TERPENE COMPOUNDS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-10-19 | — | — | US | disclosed |
| EP-1426357-A1 | PROCESS FOR PREPARATION OF ALLYL SULFONE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION | Sumitomo Chemical Company, Limited (JP) | 2004-06-09 | — | — | EP | disclosed |
| US-20040054233-A1 | Process for preparation of allyl sulfone derivatives and intermediates for the preparation | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-03-18 | — | — | US | disclosed |
| EP-0502707-B1 | Method for production of 3-cyano-3,5,5-trimethyl cyclohexanone | NIPPOH CHEMICALS (JP) | 1995-10-25 | — | — | EP | disclosed |
| US-5179221-A | METHOD FOR PRODUCTION OF 3-CYANO-3,5,5-TRIMETHYL CYCLOHEXANONE | NIPPON CHEMICALS CO., LTD. (JP) | 1993-01-12 | — | — | US | disclosed |
| EP-0502707-A1 | Method for production of 3-cyano-3,5,5-trimethyl cyclohexanone | NIPPOH CHEMICALS CO., LTD. (JP) | 1992-09-09 | — | — | EP | 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-20040054233-A1 | Process for preparation of allyl sulfone derivatives and intermediates for the preparation | ARSA, SULT1A1, SULT2A1 | TP53 4828/4885TRPA1 1804/4885TAAR1 2111/4885 |
“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.