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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 7/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.62 |
| ▸ | NPC1 | O15118 | 5/20 | 0.62 |
| ▸ | RAB9A | P51151 | 5/20 | 0.62 |
| ▸ | HTT | P42858 | 5/20 | 0.62 |
| ▸ | BLM | P54132 | 4/20 | 0.62 |
| ▸ | MAPT | P10636 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | POLB | P06746 | 3/20 | 0.62 |
| ▸ | RECQL | P46063 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | APAF1 | O14727 | 2/20 | 0.62 |
| ▸ | THRB | P10828 | 2/20 | 0.62 |
| ▸ | PKM | P14618 | 2/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.62 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.62 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.62 |
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 SCHEMBL26664736 | 1.00 | MEN1 (0.62) | MEN1KMT2ANPC1RAB9AHTT | |
| SCHEMBL26795012 | 0.95 | NSD2 (0.57) | MEN1KMT2ANPC1RAB9AHTT | |
| Iodide SCHEMBL26664786 | 0.86 | PRMT1 (0.68) | MEN1KMT2ANPC1RAB9AHTT | |
| Iodide SCHEMBL29556211 | 0.86 | PRMT1 (0.68) | MEN1KMT2ANPC1RAB9AHTT | |
| SCHEMBL24327002 | 0.85 | PRMT1 (0.66) | MEN1KMT2ANPC1RAB9AHTT | |
| Iodide SCHEMBL145356 | 0.77 | MEN1 (1.00) | MEN1KMT2ANPC1RAB9AHTT | |
| Iodide SCHEMBL5500973 | 0.77 | MEN1 (1.00) | MEN1KMT2ANPC1RAB9AHTT | |
| Iodide SCHEMBL145357 | 0.77 | MEN1 (1.00) | MEN1KMT2ANPC1RAB9AHTT | |
| SCHEMBL29349411 | 0.76 | NSD2 (1.00) | MEN1KMT2ANPC1RAB9AHTT | |
| SCHEMBL10035965 | 0.76 | NSD2 (1.00) | MEN1KMT2ANPC1RAB9AHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4228631-A1 | FLAVI-BLOCK: A PAN-FLAVIVIRUS INHIBITOR | Baden-Württemberg Stiftung gGmbH (DE) | 2023-08-23 | — | — | EP | disclosed |
| WO-2022078602-A1 | FLAVI-BLOCK: A PAN-FLAVIVIRUS INHIBITOR | BADEN-WÜRTTEMBERG STIFTUNG GGMBH (DE) | 2022-04-21 | — | — | WO | disclosed |