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 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | NCF1 | P14598 | 2/20 | 0.56 |
| ▸ | ACACA | Q13085 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.50 |
| ▸ | TUBB | P07437 | 1/20 | 0.50 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.50 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.50 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.50 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.50 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.50 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1104820 | 0.98 | CYP1A2 (0.62) | CYP1A2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL18731749 | 0.94 | CYP1A2 (0.58) | CYP1A2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL17932284 | 0.90 | CYP1A2 (0.53) | CYP1A2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL28317085 | 0.89 | CYP1A2 (0.56) | CYP1A2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL17532904 | 0.88 | CYP1A2 (0.51) | CYP1A2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL19986175 | 0.87 | CYP1A2 (0.55) | CYP1A2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL7610953 | 0.86 | GRM2 (0.58) | CYP1A2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL28129147 | 0.86 | CYP1A2 (0.53) | CYP1A2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL28046901 | 0.84 | PSMB5 (0.51) | CYP1A2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL10984300 | 0.83 | ACACA (0.73) | CYP1A2ALDH1A1HPGDKDM4EMAPT |
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-117843568-A | Aralkyl substituted-1-methylquinoline quaternary ammonium salt derivative and preparation method and application thereof | 中国药科大学 | 2024-04-09 | — | — | CN | disclosed |