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 | 5/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | GFER | P55789 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ALPG | P10696 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 5/20 | 0.44 |
| ▸ | KDM2A | Q9Y2K7 | 5/20 | 0.44 |
| ▸ | CHAT | P28329 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
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 SCHEMBL27637936 | 1.00 | MEN1 (0.56) | MEN1KMT2AALDH1A1MAPTSMN1; SMN2 | |
| Iodide SCHEMBL27637935 | 1.00 | MEN1 (0.56) | MEN1KMT2AALDH1A1MAPTSMN1; SMN2 | |
| Iodide SCHEMBL27637947 | 1.00 | MEN1 (0.56) | MEN1KMT2AALDH1A1MAPTSMN1; SMN2 | |
| Iodide SCHEMBL27637953 | 0.94 | MEN1 (0.59) | MEN1KMT2AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL13645972 | 0.91 | MEN1 (0.62) | MEN1KMT2AALDH1A1MAPTSMN1; SMN2 | |
| Iodide SCHEMBL27637940 | 0.88 | MEN1 (0.63) | MEN1KMT2AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL13043730 | 0.87 | MEN1 (0.60) | MEN1KMT2AALDH1A1MAPTSMN1; SMN2 | |
| Iodide SCHEMBL27658782 | 0.86 | KDM4A (0.42) | MEN1KMT2AALDH1A1MAPTSMN1; SMN2 | |
| Iodide SCHEMBL27658883 | 0.86 | KDM4A (0.42) | MEN1KMT2AALDH1A1MAPTSMN1; SMN2 | |
| Iodide SCHEMBL27637945 | 0.86 | KDM4A (0.51) | MEN1KMT2AALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100451003-C | Molecular rectifying material containing mercapto and preparation process thereof | UNIV FUDAN (CN) | 2009-01-14 | — | — | CN | disclosed |
| CN-1793127-A | Molecular rectifying material containing mercapto and preparation process thereof | UNIV FUDAN (CN) | 2006-06-28 | — | — | CN | disclosed |