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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11079790 | 0.81 | PPARA (0.52) | SMN1; SMN2PPARACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL11715575 | 0.78 | SMN1; SMN2 (0.47) | SMN1; SMN2PPARACYP1A2CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL11710846 | 0.77 | SMN1; SMN2 (0.46) | SMN1; SMN2PPARACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL11513556 | 0.74 | KDM4E (0.52) | SMN1; SMN2PPARACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL11708863 | 0.74 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP1A2CYP2C19CYP2C9LMNA | |
| SCHEMBL11511837 | 0.72 | SMN1; SMN2 (0.51) | SMN1; SMN2PPARACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL9780844 | 0.71 | PPARA (0.68) | SMN1; SMN2PPARACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL541271 | 0.71 | PPARA (0.68) | SMN1; SMN2PPARACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL11356894 | 0.70 | PPARA (0.56) | SMN1; SMN2PPARALMNATSHRMAPK1 | |
| Valconazole SCHEMBL1258175 | 0.70 | CYP3A4 (0.59) | SMN1; SMN2CYP2C9LMNAMAPK1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4005083-A | FUNGICIDES, BACTERICIDES AND PLANT GROWTH REGULATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-25 | — | — | US | disclosed |