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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | TMPRSS4 | Q9NRS4 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL365939 | 0.96 | MEN1 (0.48) | MEN1KMT2ANQO2KDM4EKIF11 | |
| SCHEMBL1451167 | 0.78 | MEN1 (0.44) | MEN1KMT2ANQO2KDM4EKIF11 | |
| SCHEMBL28100362 | 0.78 | KDR (0.38) | MEN1KMT2ATMPRSS4MAPTTSHR | |
| SCHEMBL323510 | 0.76 | KIF11 (0.48) | KIF11CES2MAPTALOX15 | |
| SCHEMBL7863217 | 0.75 | PTPN5 (0.41) | KDM4EKIF11CES2TSHRPTPN5 | |
| SCHEMBL187014 | 0.75 | NQO2 (0.61) | MEN1KMT2ANQO2KDM4EKIF11 | |
| SCHEMBL14675447 | 0.75 | ALOX5AP (0.37) | MEN1KMT2ANQO2KDM4EKIF11 | |
| SCHEMBL848161 | 0.74 | ALDH1A1 (0.64) | MEN1KMT2AKDM4EHSP90AA1CYP1A2 | |
| SCHEMBL29587855 | 0.74 | ALDH1A1 (0.64) | MEN1KMT2AKDM4EHSP90AA1CYP1A2 | |
| SCHEMBL31275474 | 0.74 | ESR1 (0.52) | MEN1KMT2ACYP3A4MAPTCYP2C9 |
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-1611091-A1 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004089885-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-10-21 | — | — | WO | disclosed |