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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.40 |
| ▸ | PTGIR | P43119 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29197875 | 0.99 | MEN1 (0.44) | MEN1LMNAKMT2AGAAFABP4 | |
| Bromide SCHEMBL29204390 | 0.97 | MEN1 (0.43) | MEN1LMNAKMT2AGAAFABP4 | |
| Bromide SCHEMBL27722294 | 0.96 | MEN1 (0.44) | MEN1LMNAKMT2AGAAFABP4 | |
| SCHEMBL30739529 | 0.86 | HDAC3 (0.39) | MEN1KMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL28425233 | 0.83 | MEN1 (0.43) | MEN1LMNAKMT2AGAAFABP4 | |
| Iodide SCHEMBL28413314 | 0.82 | GSK3B (0.40) | LMNAGSK3B | |
| SCHEMBL30767231 | 0.81 | MEN1 (0.43) | MEN1LMNAKMT2AGAAFABP4 | |
| SCHEMBL10602240 | 0.80 | GSK3B (0.41) | LMNAGSK3B | |
| SCHEMBL6233173 | 0.80 | GSK3B (0.41) | LMNAGSK3B | |
| SCHEMBL21803246 | 0.79 | KDM1A (0.39) | LMNAGSK3B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114874638-B | Meso-position substituted pentamethine cyanine dye, preparation method and application thereof, and fluorescent probe | 西安建筑科技大学 | 2024-01-19 | — | — | CN | claimed |
| CN-114874638-A | Meso-position substituted pentamethine cyanine dye, preparation method and application thereof, and fluorescent probe | 西安建筑科技大学 | 2022-08-09 | — | — | CN | claimed |
| CN-114874638-B | Meso-position substituted pentamethine cyanine dye, preparation method and application thereof, and fluorescent probe | 西安建筑科技大学 | 2024-01-19 | — | — | CN | disclosed |
| CN-114874638-A | Meso-position substituted pentamethine cyanine dye, preparation method and application thereof, and fluorescent probe | 西安建筑科技大学 | 2022-08-09 | — | — | CN | disclosed |