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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.66 |
| ▸ | MEN1 | O00255 | 2/20 | 0.66 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.66 |
| ▸ | APAF1 | O14727 | 1/20 | 0.66 |
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | RAB9A | P51151 | 1/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.66 |
| ▸ | FDPS | P14324 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PON1 | P27169 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17139699 | 0.98 | SMN1; SMN2 (0.68) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| SCHEMBL293656 | 0.98 | — | — | |
| Bromide SCHEMBL557293 | 0.95 | SMN1; SMN2 (0.71) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Water SCHEMBL28929074 | 0.95 | SMN1; SMN2 (0.66) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Iodide SCHEMBL180142 | 0.95 | SMN1; SMN2 (0.66) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Fluoride Ion SCHEMBL1898574 | 0.95 | SMN1; SMN2 (0.66) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Hydrochloric Acid SCHEMBL556929 | 0.95 | SMN1; SMN2 (0.66) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Fluoride SCHEMBL28444338 | 0.95 | SMN1; SMN2 (0.66) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| SCHEMBL25362454 | 0.90 | SMN1; SMN2 (0.59) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| SCHEMBL1681979 | 0.90 | SMN1; SMN2 (0.59) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2036955-B1 | DYESTUFF, DYE-SENSITIZED SOLAR CELL, AND METHOD FOR MANUFACTURING SAME | JSR CORP (JP) | 2012-05-16 | — | — | EP | disclosed |
| EP-2036955-A1 | Dyestuff, dye-sensitized solar cell, and method for manufacturing same | JSR Corporation (JP) | 2009-03-18 | — | — | EP | disclosed |