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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 5/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 4/20 | 0.39 |
| ▸ | GABRP | O00591 | 2/20 | 0.39 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
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 SCHEMBL10901815 | 0.88 | SHBG (0.42) | NPC1RAB9ACA12CA9TNKS | |
| Iodide SCHEMBL10902249 | 0.83 | MAOB (0.66) | MAOBESR1ESR2CA1CA2 | |
| Iodide SCHEMBL10898360 | 0.81 | MAOB (0.44) | MAOBESR1ESR2CA1CA2 | |
| Iodide SCHEMBL10901741 | 0.81 | MAOB (0.56) | NPC1RAB9AMAOBESR1ESR2 | |
| Iodide SCHEMBL10901650 | 0.79 | F2RL3 (0.41) | MAOBESR1ESR2 | |
| Iodide SCHEMBL10901629 | 0.79 | APP (0.65) | NPC1RAB9AMAOBCA1CA2 | |
| SCHEMBL11646027 | 0.79 | MAOB (0.61) | NPC1RAB9AMAOBESR1ESR2 | |
| SCHEMBL3978200 | 0.78 | MAOB (0.64) | NPC1RAB9AMAOBESR1ESR2 | |
| Iodide SCHEMBL10902927 | 0.78 | FFAR1 (0.46) | MAOBESR1ESR2APP | |
| Iodide SCHEMBL10899799 | 0.78 | MAOB (0.42) | MAOBESR1ESR2 |
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 |