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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | APAF1 | O14727 | 2/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | RGS12 | O14924 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL4388009 | 0.96 | KMT2A (0.53) | KMT2AALDH1A1APAF1RAD52NPSR1 | |
| Iodide SCHEMBL2020293 | 0.86 | KMT2A (0.55) | KMT2AALDH1A1APAF1RAD52NPSR1 | |
| Iodide SCHEMBL29624922 | 0.86 | KMT2A (0.55) | KMT2AALDH1A1APAF1RAD52NPSR1 | |
| SCHEMBL2947574 | 0.84 | KMT2A (0.56) | KMT2AALDH1A1APAF1RAD52NPSR1 | |
| SCHEMBL29624504 | 0.84 | KMT2A (0.56) | KMT2AALDH1A1APAF1RAD52NPSR1 | |
| Bromide SCHEMBL9327214 | 0.82 | KMT2A (0.55) | KMT2AALDH1A1APAF1RAD52NPSR1 | |
| SCHEMBL13227444 | 0.82 | ALDH1A1 (0.54) | KMT2AALDH1A1APAF1RAD52NPSR1 | |
| Hydrochloric Acid SCHEMBL5144199 | 0.82 | KMT2A (0.59) | KMT2AALDH1A1APAF1RAD52NPSR1 | |
| Iodide SCHEMBL14778925 | 0.82 | XDH (0.52) | KMT2AALDH1A1APAF1RAD52NPSR1 | |
| SCHEMBL3697066 | 0.81 | ALDH1A1 (0.56) | KMT2AALDH1A1APAF1RAD52NPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044169-B1 | USE OF PT- AND PD-BIS- AND TETRA-CARBON COMPLEXES WITH BRIDGED CARBON LIGANDS IN OLEDS | BASF SE (DE) | 2009-11-25 | — | — | EP | disclosed |