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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 7/20 | 0.66 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 SCHEMBL10900572 | 0.87 | MAOB (0.49) | MAOBALDH1A1KDM4ETP53CYP3A4 | |
| SCHEMBL11850978 | 0.83 | MAOB (0.80) | MAOBMAOAESR1ESR2ADORA3 | |
| Iodide SCHEMBL10902259 | 0.83 | NPC1 (0.50) | MAOBESR1ESR2ADORA3CA12 | |
| Iodide SCHEMBL10898360 | 0.83 | MAOB (0.44) | MAOBMAOAESR1ESR2CHRM2 | |
| Iodide SCHEMBL10901741 | 0.83 | MAOB (0.56) | MAOBMAOAESR1ESR2CHRM2 | |
| Iodide SCHEMBL10899799 | 0.82 | MAOB (0.42) | MAOBMAOAESR1ESR2 | |
| Iodide SCHEMBL10901629 | 0.80 | APP (0.65) | MAOBALDH1A1CA12CA1CA2 | |
| SCHEMBL3983367 | 0.80 | MAOB (1.00) | MAOBMAOAESR1ESR2ADORA3 | |
| Iodide SCHEMBL10902927 | 0.79 | FFAR1 (0.46) | MAOBMAOAESR1ESR2CYP3A4 | |
| SCHEMBL14231743 | 0.78 | MAOB (0.71) | MAOBMAOAADORA3CHRM2CHRM4 |
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-4600719-A | Tetrahydropyridine and piperidine derivatives | CIBA GEIGY CORPORATION (US) | 1986-07-15 | — | — | US | disclosed |
| US-4210655-A | Anti-depressant benzofuranyl piperidines | CIBA-GEIGY CORPORATION (US) | 1980-07-01 | — | — | US | disclosed |