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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 SCHEMBL5873855 | 1.00 | ELANE (0.36) | ELANETSHRCASP1CYP1A2CYP2C19 | |
| SCHEMBL26816137 | 0.98 | ELANE (0.36) | ELANETSHRCASP1CYP1A2CYP2C19 | |
| SCHEMBL5579233 | 0.82 | ALDH1A1 (0.39) | TSHRCYP1A2CYP2C19LMNAMAPT | |
| SCHEMBL3681971 | 0.81 | ESR1 (0.40) | ELANETSHRCASP1CYP1A2CYP2C19 | |
| SCHEMBL716320 | 0.81 | GABRA1 (0.46) | ELANETSHRCASP1CYP1A2CYP2C19 | |
| SCHEMBL1130117 | 0.79 | CASP1 (0.48) | ELANECASP1LMNAALDH1A1 | |
| SCHEMBL27654695 | 0.79 | HTT (0.41) | ELANETSHRCASP1CYP1A2CYP2C19 | |
| SCHEMBL7185345 | 0.79 | POLB (0.45) | TSHRCYP1A2CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL2929447 | 0.78 | HCAR2 (0.38) | TSHRCYP1A2CYP2C19LMNASMN1; SMN2 | |
| SCHEMBL21112015 | 0.78 | ALDH1A1 (0.41) | ELANETSHRCYP1A2LMNAMAPT |
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-7049046-B2 | Infrared absorbing compounds and their use in imageable elements | EASTMAN KODAK COMPANY (US) | 2006-05-23 | — | — | US | disclosed |
| US-20050221215-A1 | Infrared absorbing compounds and their use in imageable elements | CITICORP NORTH AMERICA, INC., AS AGENT | 2005-10-06 | — | — | US | disclosed |