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 | 3/20 | 0.46 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.46 |
| ▸ | HTR2C | P28335 | 6/20 | 0.45 |
| ▸ | HTR2B | P41595 | 6/20 | 0.45 |
| ▸ | HTR6 | P50406 | 4/20 | 0.43 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24723387 | 0.79 | HTR2C (0.48) | HTR2CHTR2BHTR6HTR2AMAPT | |
| SCHEMBL12558826 | 0.79 | HTR2C (0.69) | HTR2CHTR2BHTR6HTR2A | |
| SCHEMBL2927520 | 0.78 | HTR2A (0.65) | CHRM2CHRM1CHRM3HTR2CHTR2B | |
| SCHEMBL18509795 | 0.77 | HTR2C (0.50) | HTR2CHTR2BHTR6HTR2AKDM4E | |
| SCHEMBL1093195 | 0.75 | HTR2C (0.42) | HTR2CHTR2BHTR6HTR2AGSK3B | |
| SCHEMBL13015287 | 0.74 | HTR2C (0.41) | HTR2CHTR2BHTR6HTR2AKDM4E | |
| SCHEMBL12180276 | 0.71 | MEN1 (0.45) | KDM4EALDH1A1MAPTGSK3BNQO2 | |
| SCHEMBL24723804 | 0.70 | HTR2C (0.49) | HTR2CHTR2BHTR6HTR2AKDM4E | |
| SCHEMBL31205182 | 0.69 | GSK3B (0.43) | HTR2CHTR2BKDM4EALDH1A1MAPT | |
| SCHEMBL13806516 | 0.69 | ALDH1A1 (0.44) | HTR6HTR2AKDM4EALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-112608270-B | Isotope compound and preparation method and application thereof | 李道飞 | 2024-03-26 | — | — | CN | claimed |
| CN-112608270-B | Isotope compound and preparation method and application thereof | 李道飞 | 2024-03-26 | — | — | CN | disclosed |
| CN-112608270-B | Isotope compound and preparation method and application thereof | 李道飞 | 2024-03-26 | — | — | CN | disclosed |