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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | RECQL | P46063 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | RAD52 | P43351 | 2/20 | 0.60 |
| ▸ | NSD2 | O96028 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | PPARG | P37231 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.60 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
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 SCHEMBL6851867 | 1.00 | KDM4E (0.60) | KDM4EALDH1A1MAPTMEN1NPC1 | |
| SCHEMBL10036000 | 0.99 | KDM4E (0.58) | KDM4EALDH1A1MAPTMEN1NPC1 | |
| SCHEMBL29053033 | 0.77 | MEN1 (0.73) | KDM4EALDH1A1MAPTMEN1NPC1 | |
| Iodide SCHEMBL6859820 | 0.77 | SMN1; SMN2 (0.55) | KDM4EALDH1A1MAPTMEN1NPC1 | |
| Iodide SCHEMBL6858859 | 0.77 | SMN1; SMN2 (0.55) | KDM4EALDH1A1MAPTMEN1NPC1 | |
| Iodide SCHEMBL6560159 | 0.77 | KMT2A (0.73) | KDM4EALDH1A1MAPTMEN1NPC1 | |
| Iodide SCHEMBL6858988 | 0.77 | KMT2A (0.73) | KDM4EALDH1A1MAPTMEN1NPC1 | |
| SCHEMBL9455038 | 0.75 | MEN1 (0.70) | KDM4EALDH1A1MAPTMEN1NPC1 | |
| SCHEMBL9455035 | 0.75 | MEN1 (0.70) | KDM4EALDH1A1MAPTMEN1NPC1 | |
| Iodide SCHEMBL4883348 | 0.75 | MEN1 (0.60) | KDM4EALDH1A1MAPTMEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6790239-B1 | COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-09-14 | — | — | US | claimed |
| EP-1235549-A1 | AGENT FOR COLOURING KERATIN CONTAINING FIBRES | Henkel Kommanditgesellschaft auf Aktien (DE) | 2002-09-04 | — | — | EP | claimed |
| WO-2001034106-A1 | AGENT FOR COLOURING KERATIN CONTAINING FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-05-17 | — | — | WO | claimed |
| US-6790239-B1 | COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-09-14 | — | — | US | disclosed |