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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 4/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7934997 | 0.93 | CA1 (0.40) | CA1CA2CA7CA9ACHE | |
| Bfpet SCHEMBL29405209 | 0.85 | NFE2L2 (0.44) | CA1CA2CA7CA9ACHE | |
| Bfpet SCHEMBL5503623 | 0.83 | NFE2L2 (0.42) | CA1CA2CA7CA9ACHE | |
| Bfpet SCHEMBL4341233 | 0.74 | ALDH1A1 (0.40) | TAAR1NFE2L2GAA | |
| Bfpet SCHEMBL5444111 | 0.74 | NFE2L2 (0.40) | TAAR1NFE2L2GAA | |
| SCHEMBL13499 | 0.73 | — | — | |
| SCHEMBL6560890 | 0.69 | — | — | |
| Fluoride SCHEMBL21816906 | 0.69 | CA1 (0.57) | CA1CA2CA7CA9ACHE | |
| Bromide SCHEMBL6770232 | 0.69 | — | — | |
| Iodide SCHEMBL7901726 | 0.67 | LMNA (0.53) | IDO1TDO2CES2CES1 |
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-20070092907-A1 | Methods of screening compound probes | STANFORD UNIVERSITY | 2007-04-26 | — | — | US | disclosed |
| US-20070092442-A1 | F-18-fluorinated phosphonium cation imaging agents and methods of synthesis | STANDFORD UNVIERSITY | 2007-04-26 | — | — | US | disclosed |