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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | CHAT | P28329 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 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 SCHEMBL18074423 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ASMN1; SMN2MCL1 | |
| SCHEMBL18087744 | 0.99 | MEN1 (0.44) | ALDH1A1MEN1KMT2ASMN1; SMN2MCL1 | |
| Iodide SCHEMBL18063101 | 0.95 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2ASMN1; SMN2MCL1 | |
| Iodide SCHEMBL18063102 | 0.95 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2ASMN1; SMN2MCL1 | |
| SCHEMBL18087437 | 0.93 | MEN1 (0.42) | ALDH1A1MEN1KMT2ASMN1; SMN2MCL1 | |
| SCHEMBL28017973 | 0.86 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2ASMN1; SMN2MCL1 | |
| SCHEMBL18087439 | 0.85 | MEN1 (0.40) | ALDH1A1MEN1KMT2ASMN1; SMN2MCL1 | |
| Bromide SCHEMBL18062947 | 0.84 | ACHE (0.40) | ALDH1A1MEN1KMT2ASMN1; SMN2MCL1 | |
| Bromide SCHEMBL18062948 | 0.84 | ACHE (0.40) | ALDH1A1MEN1KMT2ASMN1; SMN2MCL1 | |
| SCHEMBL18087718 | 0.84 | KMT2A (0.47) | ALDH1A1MEN1KMT2ASMN1; SMN2MCL1 |
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-3271423-A1 | CATIONIC DIRECT DYES | BASF SE (DE) | 2018-01-24 | — | — | EP | disclosed |
| WO-2016146813-A1 | CATIONIC DIRECT DYES | BASF SE (DE) | 2016-09-22 | — | — | WO | disclosed |