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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | LSS | P48449 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | GUSB | P08236 | 2/20 | 0.32 |
| ▸ | EBP | Q15125 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.31 |
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 SCHEMBL7682765 | 1.00 | CHRNB2 (0.37) | CHRNB2CHRNA7CHRNA4LSSALDH1A1 | |
| Iodide SCHEMBL7681231 | 1.00 | CHRNB2 (0.37) | CHRNB2CHRNA7CHRNA4LSSALDH1A1 | |
| SCHEMBL21931387 | 0.98 | CHRNB2 (0.38) | CHRNB2CHRNA7CHRNA4LSSALDH1A1 | |
| SCHEMBL825272 | 0.94 | CHRNB2 (0.35) | CHRNB2CHRNA7CHRNA4LSSALDH1A1 | |
| SCHEMBL23707478 | 0.73 | LSS (0.31) | LSS | |
| SCHEMBL719043 | 0.71 | CHRNB2 (0.41) | CHRNB2CHRNA7CHRNA4LSSALDH1A1 | |
| SCHEMBL23676432 | 0.69 | ALDH1A1 (0.43) | CHRNB2CHRNA7CHRNA4ALDH1A1S1PR1 | |
| Octane SCHEMBL6313296 | 0.68 | TSHR (0.57) | ALDH1A1TSHRTHRBGNAI3GNAO1 | |
| SCHEMBL9206982 | 0.68 | CHRNB2 (0.39) | CHRNB2CHRNA7CHRNA4LSSALDH1A1 | |
| SCHEMBL21066228 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6395912-B1 | ISOMERIZATION OF EPOXY COMPOUND | EASTMAN CHEMICAL COMPANY | 2002-05-28 | — | — | US | disclosed |
| US-6342614-B1 | ISOMERIZATION OF GAMMA, DELTA-EPOXYALKENES OR GAMMA, DELTA-EPOXYCYCLOALKENES TO 2,5-DIHYDROFURANS USING CATALYTIC SYSTEM WHICH COMPRISES ONIUM IODIDE AND LEWIS ACID | EASTMAN CHEMICAL COMPANY | 2002-01-29 | — | — | US | disclosed |
| US-6201138-B1 | CONTACTING A GAMMA, DELTA-EPOXYALKENE OR A GAMMA, DELTA-EPOXYCYCLOALKENE IN LIQUID PHASE WITH SOLUTION OF CATALYTIC AMOUNT OF ORGANOTIN (IV) OR ORGANOANTIMONY COMPOUND IN INERT ORGANIC SOLVENT AND QUATERNARY ORGANIC ONIUM IODIDE | EASTMAN CHEMICAL COMPANY | 2001-03-13 | — | — | US | disclosed |
| US-6201139-B1 | CONTACTING A GAMMA, DELTA-EPOXYALKENE OR A GAMMA, DELTA-EPOXYCYCLOALKENE IN THE LIQUID PHASE WITH A SOLUTION OF A CATALYTIC AMOUNT OF AN ORGANOTIN (IV) COMPOUND OR ORGANOANTIMONY COMPOUND IN AN INERT, ORGANIC SOLVENT | EASTMAN CHEMICAL COMPANY | 2001-03-13 | — | — | US | disclosed |
| EP-0518973-B1 | ISOMERIZATION OF EPOXYALKENES TO 2,5-DIHYDROFURANS AND CATALYSTS COMPOSITIONS USEFUL THEREFOR | EASTMAN CHEM CO (US) | 1995-01-11 | — | — | EP | disclosed |
| US-5082956-A | Quaternary onium iodide catalyst | EASTMAN KODAK COMPANY (US) | 1992-01-21 | — | — | US | disclosed |