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 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KDM4A | O75164 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | HSPA9 | P38646 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 4/20 | 0.35 |
| ▸ | HTR2C | P28335 | 4/20 | 0.35 |
| ▸ | HTR2B | P41595 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29769949 | 0.98 | MEN1 (0.50) | MEN1POLBMAPTTHRBRECQL | |
| Iodide SCHEMBL27561387 | 0.79 | MEN1 (0.52) | MEN1POLBMAPTTHRBRECQL | |
| SCHEMBL27539150 | 0.77 | MEN1 (0.54) | MEN1POLBMAPTTHRBRECQL | |
| Iodide SCHEMBL27540750 | 0.77 | KMT2A (0.54) | MEN1POLBMAPTTHRBRECQL | |
| Iodide SCHEMBL27540793 | 0.76 | KMT2A (0.52) | MEN1POLBMAPTTHRBRECQL | |
| Iodide SCHEMBL10424612 | 0.76 | KMT2A (0.52) | MEN1POLBMAPTTHRBRECQL | |
| Iodide SCHEMBL5462956 | 0.75 | MEN1 (0.50) | MEN1POLBMAPTTHRBRECQL | |
| SCHEMBL12288733 | 0.75 | KMT2A (0.55) | MEN1POLBMAPTTHRBRECQL | |
| SCHEMBL12283365 | 0.73 | MAPT (0.54) | MEN1POLBMAPTTHRBRECQL | |
| SCHEMBL10341128 | 0.73 | KMT2A (0.54) | MEN1POLBMAPTTHRBRECQL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109207140-A | A kind of naphtho- Photo-chromic Compounds of Spriopyrans | 苏州健雄职业技术学院 | 2019-01-15 | — | — | CN | disclosed |
| CN-109206440-A | Spirooxazine class photochromic compound | 苏州健雄职业技术学院 | 2019-01-15 | — | — | CN | disclosed |