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 | 6/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | LPL | P06858 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
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 SCHEMBL9182282 | 0.97 | ACHE (0.50) | ACHETDP1ALDH1A1CA2CA1 | |
| Bromide SCHEMBL2494995 | 0.93 | ACHE (0.53) | ACHETDP1ALDH1A1CA2CA1 | |
| Fluoride Ion SCHEMBL943595 | 0.93 | ACHE (0.53) | ACHETDP1ALDH1A1CA2CA1 | |
| Water SCHEMBL4384420 | 0.93 | ACHE (0.53) | ACHETDP1ALDH1A1CA2CA1 | |
| Hydrochloric Acid SCHEMBL7932457 | 0.93 | ACHE (0.53) | ACHETDP1ALDH1A1CA2CA1 | |
| SCHEMBL7874663 | 0.90 | ACHE (0.50) | ACHETDP1ALDH1A1CA2CA1 | |
| Bromide SCHEMBL9181860 | 0.90 | ACHE (0.50) | ACHETDP1ALDH1A1CA2CA1 | |
| Bromide SCHEMBL9179274 | 0.90 | ACHE (0.50) | ACHETDP1ALDH1A1CA2CA1 | |
| Iodide SCHEMBL7065210 | 0.89 | LMNA (0.50) | ACHETDP1ALDH1A1CA9TSHR | |
| Bromide SCHEMBL9181852 | 0.88 | ACHE (0.47) | ACHETDP1ALDH1A1CA2CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0161550-B1 | PROCESS FOR PRODUCING AN ALIPHATIC ISOCYANATE | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1988-01-20 | — | — | EP | disclosed |
| US-4587056-A | CARBONYLATION, OXIDATION, CATALYST | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1986-05-06 | — | — | US | disclosed |
| EP-0161550-A1 | Process for producing an aliphatic isocyanate | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1985-11-21 | — | — | EP | disclosed |