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 | 0.42 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 5/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 SCHEMBL10902249 | 0.83 | MAOB (0.66) | MAOBMAOAESR1ESR2CHRM2 | |
| SCHEMBL10173044 | 0.81 | MAOB (0.74) | MAOBADRA2AADRA2BADRA2CNPC1 | |
| Iodide SCHEMBL10902259 | 0.81 | NPC1 (0.50) | MAOBNPC1RAB9AESR1ESR2 | |
| Iodide SCHEMBL10898360 | 0.81 | MAOB (0.44) | MAOBMAOAESR1ESR2CHRM2 | |
| Iodide SCHEMBL10901629 | 0.79 | APP (0.65) | MAOBADRA2AADRA2BADRA2CNPC1 | |
| SCHEMBL3980317 | 0.78 | MAOB (0.66) | MAOBADRA2AADRA2BADRA2CNPC1 | |
| Iodide SCHEMBL10902927 | 0.78 | FFAR1 (0.46) | MAOBMAOAESR1ESR2CYP2A6 | |
| Iodide SCHEMBL10899799 | 0.78 | MAOB (0.42) | MAOBMAOAESR1ESR2 | |
| SCHEMBL14231754 | 0.77 | NPC1 (0.61) | MAOBADRA2AADRA2BADRA2CNPC1 | |
| SCHEMBL6636523 | 0.76 | ADRA2A (0.59) | MAOBADRA2AADRA2BADRA2CNPC1 |
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 |