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 | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 6/20 | 0.67 |
| ▸ | RAD52 | P43351 | 3/20 | 0.64 |
| ▸ | APP | P05067 | 4/20 | 0.62 |
| ▸ | HTT | P42858 | 5/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | PKM | P14618 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | POLB | P06746 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | NSD2 | O96028 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
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 SCHEMBL6858541 | 1.00 | CHAT (0.67) | CHATRAD52APPHTTNPSR1 | |
| SCHEMBL13766059 | 0.82 | CHAT (0.79) | CHATRAD52APPHTTNPSR1 | |
| SCHEMBL12686413 | 0.81 | HTT (0.70) | CHATRAD52APPHTTNPSR1 | |
| SCHEMBL12866151 | 0.81 | CHAT (0.67) | CHATRAD52APPHTTNPSR1 | |
| Iodide SCHEMBL6559481 | 0.80 | CHAT (0.62) | CHATRAD52APPHTTNPSR1 | |
| SCHEMBL7579535 | 0.78 | CHAT (0.63) | CHATRAD52APPHTTNPSR1 | |
| SCHEMBL4626052 | 0.78 | CHAT (0.77) | CHATRAD52APPHTTNPSR1 | |
| SCHEMBL4626049 | 0.78 | CHAT (0.77) | CHATRAD52APPHTTNPSR1 | |
| SCHEMBL14700346 | 0.78 | CHAT (0.77) | CHATRAD52APPHTTNPSR1 | |
| SCHEMBL1245826 | 0.78 | CHAT (0.77) | CHATRAD52APPHTTNPSR1 |
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-6790239-B1 | COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-09-14 | — | — | US | claimed |
| US-6790239-B1 | COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-09-14 | — | — | US | disclosed |