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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL550320 | 0.98 | KMT2A (0.50) | KMT2ANPSR1L3MBTL1APEX1ALDH1A1 | |
| SCHEMBL2964452 | 0.83 | SMN1; SMN2 (0.51) | KMT2ANPSR1L3MBTL1ALDH1A1POLB | |
| SCHEMBL5427925 | 0.82 | ALDH1A1 (0.50) | ALDH1A1POLBHTTKDM4ECYP1A2 | |
| SCHEMBL13590979 | 0.81 | NPSR1 (0.64) | KMT2ANPSR1L3MBTL1APEX1ALDH1A1 | |
| SCHEMBL28474879 | 0.80 | POLB (0.68) | KMT2ANPSR1L3MBTL1APEX1ALDH1A1 | |
| SCHEMBL14612238 | 0.79 | L3MBTL1 (0.40) | KMT2ANPSR1L3MBTL1ALDH1A1POLB | |
| SCHEMBL552006 | 0.79 | NPSR1 (0.38) | KMT2ANPSR1L3MBTL1ALDH1A1POLB | |
| SCHEMBL552005 | 0.79 | POLB (0.35) | KMT2ANPSR1L3MBTL1ALDH1A1POLB | |
| SCHEMBL550487 | 0.79 | ALB (0.40) | KMT2ANPSR1L3MBTL1POLBALOX15 | |
| SCHEMBL551672 | 0.79 | PBRM1 (0.42) | KMT2ANPSR1L3MBTL1ALDH1A1POLB |
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-109020934-B | Preparation method of intermediate containing halogenated benzene ring side chain flubendiamide structure | 绍兴贝斯美化工股份有限公司 | 2022-03-08 | — | — | CN | claimed |
| CN-109020934-B | Preparation method of intermediate containing halogenated benzene ring side chain flubendiamide structure | 绍兴贝斯美化工股份有限公司 | 2022-03-08 | — | — | CN | disclosed |
| CN-109020934-B | Preparation method of intermediate containing halogenated benzene ring side chain flubendiamide structure | 绍兴贝斯美化工股份有限公司 | 2022-03-08 | — | — | CN | disclosed |