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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.37 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.37 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | TOP1 | P11387 | 1/20 | 0.35 |
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 SCHEMBL9397810 | 1.00 | KDM4E (0.48) | KDM4EL3MBTL1CTDSP1TDP1HPGD | |
| Water SCHEMBL9397892 | 0.99 | KDM4E (0.48) | KDM4EL3MBTL1CTDSP1TDP1HPGD | |
| SCHEMBL9020827 | 0.86 | KDM4E (0.54) | KDM4ETDP1HPGDMAPTHSD17B10 | |
| SCHEMBL9021047 | 0.86 | L3MBTL1 (0.47) | KDM4EL3MBTL1CTDSP1TDP1HPGD | |
| SCHEMBL9744166 | 0.86 | L3MBTL1 (0.54) | KDM4EL3MBTL1CTDSP1TDP1HPGD | |
| SCHEMBL9744184 | 0.86 | L3MBTL1 (0.54) | KDM4EL3MBTL1CTDSP1TDP1HPGD | |
| Trifluoroacetic Acid SCHEMBL9396266 | 0.83 | KDM4E (0.49) | KDM4ETDP1HPGDMAPTNR1I2 | |
| Trifluoroacetic Acid SCHEMBL9396259 | 0.83 | KDM4E (0.49) | KDM4ETDP1HPGDMAPTNR1I2 | |
| Iodide SCHEMBL9396283 | 0.82 | KDM4E (0.48) | KDM4ECTDSP1HPGDHSD17B10ALDH1A1 | |
| Iodide SCHEMBL9022564 | 0.82 | KDM4E (0.48) | KDM4ECTDSP1HPGDHSD17B10ALDH1A1 |
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-0335297-B1 | Cephalosporin derivatives | HOFFMANN LA ROCHE (CH) | 1996-03-13 | — | — | EP | claimed |
| US-5329002-A | Piperazinium protected carboxylic acid antibiotics | HOFFMANN-LA ROCHE INC. (US) | 1994-07-12 | — | — | US | disclosed |