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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 4/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9248959 | 1.00 | SCN9A (0.36) | SCN9ABCHEPLA2G2AMAPTHTT | |
| SCHEMBL28558545 | 0.94 | MAPT (0.39) | SCN9ABCHEMAPTHTTHIF1A | |
| Iodide SCHEMBL11816126 | 0.84 | BCHE (0.37) | BCHEMAPTHIF1ANQO2HDAC1 | |
| Iodide SCHEMBL27878164 | 0.83 | LMNA (0.35) | MAPTHTTTLR8MEN1ALDH1A1 | |
| Iodide SCHEMBL27570193 | 0.83 | BCHE (0.39) | BCHEMAPTNQO2HDAC1HDAC6 | |
| Iodide SCHEMBL28003613 | 0.82 | MEN1 (0.38) | MAPTMEN1ALDH1A1KMT2A | |
| Iodide SCHEMBL9627349 | 0.79 | CNR2 (0.39) | SCN9AMEN1ALDH1A1KMT2A | |
| Iodide SCHEMBL2498701 | 0.79 | CNR2 (0.39) | SCN9AMEN1ALDH1A1KMT2A | |
| Iodide SCHEMBL2495397 | 0.79 | CNR2 (0.39) | SCN9AMEN1ALDH1A1KMT2A | |
| Iodide SCHEMBL9048856 | 0.79 | CNR2 (0.39) | SCN9AMEN1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5426018-A | Spiropyran compound which can form two kinds of aggregates, each having sharp absorption peak at different wavelength; optical recording media | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1995-06-20 | — | — | US | disclosed |