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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | PYGL | P06737 | 11/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CCR2 | P41597 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 SCHEMBL17555180 | 1.00 | ALDH1A1 (0.57) | ALDH1A1HPGDPYGLLMNASMN1; SMN2 | |
| SCHEMBL315402 | 0.99 | ALDH1A1 (0.58) | ALDH1A1HPGDPYGLLMNASMN1; SMN2 | |
| SCHEMBL315403 | 0.99 | ALDH1A1 (0.58) | ALDH1A1HPGDPYGLLMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2905992 | 0.98 | ALDH1A1 (0.57) | ALDH1A1HPGDPYGLLMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2905994 | 0.98 | ALDH1A1 (0.57) | ALDH1A1HPGDPYGLLMNASMN1; SMN2 | |
| Iodide SCHEMBL17555285 | 0.90 | ALDH1A1 (0.59) | ALDH1A1HPGDPYGLLMNASMN1; SMN2 | |
| SCHEMBL13148204 | 0.89 | ALDH1A1 (0.60) | ALDH1A1HPGDPYGLLMNASMN1; SMN2 | |
| Iodide SCHEMBL17555090 | 0.88 | CCR2 (0.63) | ALDH1A1PYGLLMNASMN1; SMN2KMT2A | |
| Iodide SCHEMBL17555092 | 0.88 | CCR2 (0.63) | ALDH1A1PYGLLMNASMN1; SMN2KMT2A | |
| Hydrochloric Acid SCHEMBL2899956 | 0.88 | ALDH1A1 (0.59) | ALDH1A1HPGDPYGLLMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765803-B1 | QUATERNARY SALT CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2016-03-09 | — | — | EP | disclosed |