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 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | GABRE | P78334 | 1/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.42 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.42 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.42 |
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) | MAOBESR1ESR2CHRM2CHRM4 | |
| Iodide SCHEMBL10901741 | 0.81 | MAOB (0.56) | MAOBESR1ESR2CHRM2CHRM4 | |
| Iodide SCHEMBL10902259 | 0.81 | NPC1 (0.50) | MAOBESR1ESR2GABRPGABRD | |
| Iodide SCHEMBL10902927 | 0.81 | FFAR1 (0.46) | MAOBESR1ESR2APPMAOA | |
| Iodide SCHEMBL10901629 | 0.79 | APP (0.65) | MAOBAPPCA12CA1CA2 | |
| SCHEMBL11851368 | 0.79 | MAOB (0.61) | MAOBESR1ESR2GABRPGABRD | |
| Iodide SCHEMBL10899799 | 0.78 | MAOB (0.42) | MAOBESR1ESR2MAOA | |
| SCHEMBL14231750 | 0.77 | CHRM2 (0.54) | MAOBESR1ESR2GABRPGABRD | |
| SCHEMBL3930549 | 0.76 | ESR1 (0.74) | MAOBESR1ESR2GABRPGABRD | |
| SCHEMBL10899785 | 0.76 | MAPK14 (0.49) | MAOBESR1ESR2GABRPGABRD |
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 |