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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.73 |
| ▸ | MEN1 | O00255 | 3/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.73 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | THRB | P10828 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
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 SCHEMBL20856301 | 1.00 | MAPT (0.73) | MAPTMEN1KMT2AALDH1A1CYP2D6 | |
| Iodide SCHEMBL8067949 | 0.91 | MAPT (0.87) | MAPTMEN1KMT2AALDH1A1CYP2D6 | |
| Iodide SCHEMBL9768656 | 0.91 | MAPT (0.87) | MAPTMEN1KMT2AALDH1A1CYP2D6 | |
| Iodide SCHEMBL11239786 | 0.90 | MAPT (0.69) | MAPTMEN1KMT2AALDH1A1CYP2D6 | |
| Perchlorate SCHEMBL11433762 | 0.87 | MAPT (0.62) | MAPTMEN1KMT2AALDH1A1CYP2D6 | |
| Perchlorate SCHEMBL11638443 | 0.86 | MAPT (0.78) | MAPTMEN1KMT2AALDH1A1CYP2D6 | |
| Iodide SCHEMBL5329489 | 0.84 | KMT2A (1.00) | MAPTMEN1KMT2AALDH1A1CYP2D6 | |
| Iodide SCHEMBL5329486 | 0.84 | KMT2A (1.00) | MAPTMEN1KMT2AALDH1A1CYP2D6 | |
| Iodide SCHEMBL11813030 | 0.83 | MAPT (0.65) | MAPTMEN1KMT2AALDH1A1CYP2D6 | |
| Iodide SCHEMBL9437122 | 0.83 | KMT2A (0.98) | MAPTMEN1KMT2AALDH1A1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019064178-A1 | COUMARIN DERIVATIVE OF TRÖGER'S BASE WITH CYANIN SUBSTITUTION AND ITS USE | FIRST FACULTY OF MEDICINE CHARLES UNIVERSITY (CZ) | 2019-04-04 | — | — | WO | disclosed |