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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.50 |
| ▸ | NPC1 | O15118 | 7/20 | 0.50 |
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | FBP1 | P09467 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | MC5R | P33032 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL55837 | 0.96 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ATDP1ALDH1A1 | |
| Iodide SCHEMBL10484701 | 0.94 | TDP1 (0.49) | SMN1; SMN2NPC1RAB9ATDP1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL4408280 | 0.93 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ATDP1ALDH1A1 | |
| SCHEMBL30074811 | 0.93 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ATDP1ALDH1A1 | |
| SCHEMBL10665140 | 0.93 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ATDP1ALDH1A1 | |
| Bromide SCHEMBL887893 | 0.93 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ATDP1ALDH1A1 | |
| Water SCHEMBL28902586 | 0.93 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ATDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7776250 | 0.93 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ATDP1ALDH1A1 | |
| SCHEMBL2148044 | 0.93 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ATDP1ALDH1A1 | |
| Iodide SCHEMBL4618865 | 0.93 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ATDP1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115819371-A | Preparation method of benzothiazole-2-formaldehyde and derivatives thereof | 新疆师范大学 | 2023-03-21 | — | — | CN | disclosed |