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 | 7/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL14253098 | 0.84 | CYP19A1 (0.46) | ACHEMAOAMAOBKMT2APOLB | |
| Iodide SCHEMBL5675165 | 0.83 | HTT (0.54) | ACHEMAOAMAOBKMT2APOLB | |
| Iodide SCHEMBL5675163 | 0.83 | HTT (0.54) | ACHEMAOAMAOBKMT2APOLB | |
| SCHEMBL5676078 | 0.81 | APP (0.55) | ACHEMAOAMAOBKMT2APOLB | |
| SCHEMBL5676080 | 0.81 | APP (0.55) | ACHEMAOAMAOBKMT2APOLB | |
| Perchlorate SCHEMBL591993 | 0.77 | KMT2A (0.56) | ACHEMAOAMAOBKMT2APOLB | |
| Perchlorate SCHEMBL591992 | 0.77 | KMT2A (0.56) | ACHEMAOAMAOBKMT2APOLB | |
| Perchlorate SCHEMBL29837438 | 0.77 | KMT2A (0.56) | ACHEMAOAMAOBKMT2APOLB | |
| SCHEMBL14984250 | 0.76 | ACHE (0.59) | ACHEMAOBKMT2AMEN1LMNA | |
| SCHEMBL30018417 | 0.76 | KDM4E (0.39) | ACHEKMT2AMEN1LMNAKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0756520-A4 | THE USE OF BLOCKED TIN CATALYST SYSTEM | ASHLAND INC (US) | 1997-08-20 | — | — | EP | disclosed |
| EP-0756520-A1 | THE USE OF BLOCKED TIN CATALYST SYSTEM | ASHLAND INC. (US) | 1997-02-05 | — | — | EP | disclosed |
| WO-1995029007-A1 | THE USE OF BLOCKED TIN CATALYST SYSTEM | ASHLAND INC. (US) | 1995-11-02 | — | — | WO | disclosed |