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 | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 6/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
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 SCHEMBL10901629 | 0.90 | APP (0.65) | APPALDH1A1HPGDCA12CA1 | |
| SCHEMBL29873464 | 0.84 | APP (0.64) | APPPTPN1ALDH1A1HPGDCA12 | |
| SCHEMBL6748778 | 0.84 | APP (0.64) | APPPTPN1ALDH1A1HPGDCA12 | |
| Iodide SCHEMBL10902480 | 0.83 | ALDH1A1 (0.44) | APPPTPN1ALDH1A1HPGDKDM4E | |
| Iodide SCHEMBL10900572 | 0.81 | MAOB (0.49) | ALDH1A1HPGDKDM4EHSD17B10MAOB | |
| SCHEMBL6822627 | 0.81 | NPC1 (0.66) | APPPTPN1ALDH1A1HPGDCA12 | |
| Iodide SCHEMBL10901815 | 0.80 | SHBG (0.42) | APPPTPN1CA12CA9NPC1 | |
| SCHEMBL7117562 | 0.80 | MAOB (0.66) | APPPTPN1ALDH1A1HPGDCA12 | |
| SCHEMBL734884 | 0.78 | MAOB (0.65) | APPPTPN1ALDH1A1HPGDCA12 | |
| SCHEMBL10899813 | 0.78 | APP (0.57) | APPPTPN1ALDH1A1HPGDCA12 |
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 |