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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.50 |
| ▸ | INSR | P06213 | 2/20 | 0.48 |
| ▸ | SNCA | P37840 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11630617 | 0.96 | ADRB2 (0.50) | ADRB2ADRB1INSRSNCAMAPT | |
| Hydrochloric Acid SCHEMBL11631456 | 0.96 | ADRB2 (0.50) | ADRB2ADRB1INSRSNCAMAPT | |
| SCHEMBL14355663 | 0.81 | ADRB2 (0.53) | ADRB2ADRB1INSRSNCAMAPT | |
| Iodide SCHEMBL5377348 | 0.78 | ADRB2 (0.53) | ADRB2ADRB1INSRSNCAMAPT | |
| Bromide SCHEMBL11627911 | 0.77 | MAPT (0.54) | INSRMAPTSMN1; SMN2POLBHTT | |
| Hydrochloric Acid SCHEMBL11633252 | 0.77 | MAPT (0.56) | INSRMAPTSMN1; SMN2POLBHTT | |
| Iodide SCHEMBL29846433 | 0.76 | ADRB2 (0.59) | ADRB2ADRB1INSRSNCAMAPT | |
| SCHEMBL14385698 | 0.76 | ADRB2 (0.58) | ADRB2ADRB1INSRSNCAMAPT | |
| Iodide SCHEMBL11635184 | 0.76 | INSR (0.56) | INSRMAPTSMN1; SMN2POLBHTT | |
| SCHEMBL7762854 | 0.76 | ADRB2 (0.54) | ADRB2ADRB1INSRSNCAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4085112-A | 2-Formyl-3-alkyl-benzothiazolium halide oxime | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1978-04-18 | — | — | US | claimed |
| US-4085112-A | 2-Formyl-3-alkyl-benzothiazolium halide oxime | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1978-04-18 | — | — | US | disclosed |