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 | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 2/20 | 0.36 |
| ▸ | GABRD | O14764 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
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 SCHEMBL10902259 | 0.88 | NPC1 (0.50) | CA12CA9NPC1RAB9ATNKS | |
| Iodide SCHEMBL10900572 | 0.83 | MAOB (0.49) | SHBGCALCRLF2RL3PTGS2TYR | |
| Iodide SCHEMBL10901796 | 0.80 | APP (0.51) | CA12CA9NPC1RAB9AHDAC8 | |
| Iodide SCHEMBL10901650 | 0.79 | F2RL3 (0.41) | SHBGF2RL3 | |
| Iodide SCHEMBL10899799 | 0.78 | MAOB (0.42) | SHBGCALCRL | |
| SCHEMBL10901632 | 0.76 | SHBG (0.46) | SHBGCA12CA9RAB9AF2RL3 | |
| Iodide SCHEMBL10902480 | 0.75 | ALDH1A1 (0.44) | CALCRLPTPN1APPAR | |
| SCHEMBL11733704 | 0.75 | KCNA5 (0.62) | NPC1RAB9ATNKSPTPN1GABRP | |
| Iodide SCHEMBL10899710 | 0.74 | ESR1 (0.48) | CA12CA9HDAC8 | |
| SCHEMBL19887207 | 0.73 | GABRP (0.58) | SHBGPTGS2TNKSADORA3PTPN1 |
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 |