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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | ALPG | P10696 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 4/20 | 0.41 |
| ▸ | CHAT | P28329 | 4/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL23782008 | 0.78 | KIF11 (0.57) | MAPTMEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL29754924 | 0.77 | KIF11 (0.59) | MAPTMEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL3413882 | 0.77 | KIF11 (0.59) | MAPTMEN1KMT2ANPSR1ALDH1A1 | |
| Vinyl Ether SCHEMBL29220358 | 0.75 | KIF11 (0.46) | MAPTMEN1KMT2ANPSR1NPC1 | |
| Pavettine SCHEMBL4350253 | 0.69 | KIF11 (0.46) | MAPTMEN1KMT2ANPSR1NPC1 | |
| Styrene SCHEMBL2988659 | 0.68 | HDAC8 (0.82) | HDAC8MAPTRAB9AALDH1A1ACHE | |
| Iodide SCHEMBL11496800 | 0.68 | HDAC8 (0.90) | HDAC8MAPTMEN1KMT2ANPSR1 | |
| SCHEMBL271363 | 0.68 | — | — | |
| SCHEMBL27670112 | 0.68 | KIF11 (0.45) | ALDH1A1BCHEKIF11GABRPGABRD | |
| SCHEMBL9502784 | 0.67 | KIF11 (0.47) | MAPTMEN1KMT2ANPSR1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20210333284-A1 | METHODS AND MATERIALS FOR LARGE-SCALE ASSESSMENT OF LIGAND BINDING SELECTIVITY OF G-QUADRUPLEX RECOGNITION USING CUSTOM G4 MICROARRAYS | PURDUE RESEARCH FOUNDATION (US) | 2021-10-28 | — | — | US | disclosed |
| WO-2021105761-A1 | COMPOSITIONS AND THEIR USES FOR TREATING CANCERS | INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (INSERM) (FR) | 2021-06-03 | — | — | WO | disclosed |