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 | 9/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.52 |
| ▸ | HTT | P42858 | 8/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 4/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | SNCA | P37840 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 10/20 | 0.41 |
| ▸ | NR2F2 | P24468 | 3/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 3/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.40 |
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 SCHEMBL10537076 | 1.00 | NPC1 (0.52) | NPC1SMN1; SMN2HTTMAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL10537097 | 0.78 | MAPT (0.54) | NPC1SMN1; SMN2HTTMAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL10537101 | 0.78 | MAPT (0.54) | NPC1SMN1; SMN2HTTMAPTALDH1A1 | |
| SCHEMBL13428302 | 0.74 | SNCA (0.41) | NPC1SMN1; SMN2HTTMAPTALDH1A1 | |
| SCHEMBL10537062 | 0.70 | ALDH1A1 (0.46) | NPC1SMN1; SMN2HTTMAPTALDH1A1 | |
| SCHEMBL13708329 | 0.70 | NPC1 (0.43) | NPC1SMN1; SMN2HTTMAPTALDH1A1 | |
| SCHEMBL5701141 | 0.70 | INSR (0.61) | NPC1SMN1; SMN2HTTMAPTALDH1A1 | |
| SCHEMBL15704577 | 0.70 | POLB (0.54) | NPC1SMN1; SMN2HTTMAPTALDH1A1 | |
| SCHEMBL5701145 | 0.70 | INSR (0.61) | NPC1SMN1; SMN2HTTMAPTALDH1A1 | |
| Iodide SCHEMBL1405415 | 0.69 | NPC1 (0.44) | NPC1SMN1; SMN2HTTMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4804599-A | BENZOTHIAZOLE OR BEXZOSELENAZOLE HOLOGRAPHIC MATERIALS | CIBA-GEIGY AG (SE) | 1989-02-14 | — | — | US | disclosed |