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 |
| ▸ | IDO1 | P14902 | 4/20 | 0.35 |
| ▸ | MMP1 | P03956 | 2/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 SCHEMBL6611356 | 1.00 | PLG (0.37) | PLGPRSS1F2IDO1MMP1 | |
| Iodide SCHEMBL6612377 | 0.90 | PLG (0.37) | PLGPRSS1F2IDO1PRSS2 | |
| Iodide SCHEMBL6612373 | 0.90 | PLG (0.37) | PLGPRSS1F2IDO1PRSS2 | |
| SCHEMBL6609674 | 0.82 | MAOB (0.40) | MMP1CYP1A2SMN1; SMN2ABCB11CYP3A4 | |
| SCHEMBL6609669 | 0.82 | MAOB (0.40) | MMP1CYP1A2SMN1; SMN2ABCB11CYP3A4 | |
| SCHEMBL6609901 | 0.81 | MMP1 (0.39) | MMP1CYP1A2SMN1; SMN2ABCB11CYP3A4 | |
| SCHEMBL6609903 | 0.81 | MMP1 (0.39) | MMP1CYP1A2SMN1; SMN2ABCB11CYP3A4 | |
| SCHEMBL6612378 | 0.73 | SMN1; SMN2 (0.40) | SMN1; SMN2TSHRMAOBMAPTPOLB | |
| SCHEMBL6612381 | 0.73 | SMN1; SMN2 (0.40) | SMN1; SMN2TSHRMAOBMAPTPOLB | |
| SCHEMBL6609730 | 0.73 | MAOB (0.39) | PLGPRSS1F2CYP1A2SMN1; SMN2 |
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 3 patents. 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 |
| EP-1140895-A2 | THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040576-A2 | THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-07-13 | — | — | WO | disclosed |