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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.51 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.51 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.65 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.65 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.61 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.51 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.51 |
| ▸ | CCKBR | P32239 | 2/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29201351 | 0.98 | CYP11B1 (0.67) | CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL29201340 | 0.96 | CYP11B1 (0.65) | CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4 | |
| Bromide SCHEMBL29201437 | 0.96 | CYP11B1 (0.65) | CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4 | |
| Bicarbonate SCHEMBL29201300 | 0.91 | CYP11B1 (0.59) | CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4 | |
| SCHEMBL11373170 | 0.80 | CYP11B1 (0.62) | CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4 | |
| SCHEMBL27477705 | 0.80 | CYP11B1 (0.62) | CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4 | |
| SCHEMBL332630 | 0.79 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4 | |
| Methyl Alcohol SCHEMBL27766624 | 0.78 | CYP11B1 (0.89) | CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4 | |
| SCHEMBL5303966 | 0.75 | CYP11B1 (0.61) | CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL1507776 | 0.75 | CYP19A1 (0.97) | CYP11B1CYP11B2CYP19A1CYP17A1TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117813334-A | Onium salt, blocking agent dissociation catalyst for blocking isocyanate, blocked isocyanate composition containing blocking agent dissociation catalyst, thermosetting resin composition, cured product, and method for producing same | 广荣化学株式会社 | 2024-04-02 | — | — | CN | disclosed |