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 | |
|---|---|---|---|---|
| ▸ | PLG | P00747 | 3/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.37 |
| ▸ | F2 | P00734 | 2/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.32 |
| ▸ | LMNA | P02545 | 5/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.31 |
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 SCHEMBL6612377 | 1.00 | PLG (0.37) | PLGPRSS1F2PRSS2PRSS3 | |
| Iodide SCHEMBL6611356 | 0.90 | PLG (0.37) | PLGPRSS1F2PRSS2PRSS3 | |
| Iodide SCHEMBL6611359 | 0.90 | PLG (0.37) | PLGPRSS1F2PRSS2PRSS3 | |
| SCHEMBL6616648 | 0.81 | MAOB (0.39) | PLGPRSS1F2KMT2ALMNA | |
| SCHEMBL6610318 | 0.81 | SRD5A2 (0.37) | PLGPRSS1F2KMT2ALMNA | |
| SCHEMBL6610314 | 0.81 | SRD5A2 (0.37) | PLGPRSS1F2KMT2ALMNA | |
| SCHEMBL6616653 | 0.81 | MAOB (0.39) | PLGPRSS1F2KMT2ALMNA | |
| SCHEMBL6611592 | 0.72 | HDAC1 (0.39) | KMT2ALMNASMN1; SMN2MEN1RAB9A | |
| SCHEMBL6611593 | 0.72 | HDAC1 (0.39) | KMT2ALMNASMN1; SMN2MEN1RAB9A | |
| SCHEMBL6609674 | 0.71 | MAOB (0.40) | LMNASMN1; SMN2NPC1MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1140895-B1 | THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP | FUJISAWA PHARMACEUTICAL CO (JP) | 2004-03-24 | — | — | EP | disclosed |