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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 1/20 | 0.62 |
| ▸ | LCK | P06239 | 1/20 | 0.60 |
| ▸ | FYN | P06241 | 1/20 | 0.60 |
| ▸ | DAO | P14920 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10425 | 0.98 | — | — | |
| SCHEMBL2166098 | 0.77 | CES2 (0.71) | CES2CES1LCKFYNDAO | |
| SCHEMBL3220577 | 0.77 | — | — | |
| SCHEMBL8182714 | 0.77 | CES2 (1.00) | CES2CES1LCKFYNDAO | |
| SCHEMBL7270607 | 0.76 | LCK (0.59) | CES2CES1LCKFYNDAO | |
| SCHEMBL5069541 | 0.76 | CES2 (0.68) | CES2CES1LCKFYNDAO | |
| SCHEMBL1629730 | 0.75 | — | — | |
| SCHEMBL152166 | 0.75 | — | — | |
| SCHEMBL8198712 | 0.75 | — | — | |
| SCHEMBL4160974 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111225648-B | Photocurable dental compositions | 登特斯普伊德特雷有限公司 | 2023-03-31 | — | — | CN | disclosed |