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 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | INMT | O95050 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11198894 | 0.82 | — | — | |
| SCHEMBL10189894 | 0.74 | — | — | |
| SCHEMBL9219863 | 0.71 | HTT (0.37) | HTTMAPTAPOBEC3ARECQLAPOBEC3G | |
| SCHEMBL6302472 | 0.68 | HTT (0.53) | HTTMAPTKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL35675 | 0.67 | — | — | |
| SCHEMBL20865754 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28745452 | 0.65 | — | — | |
| SCHEMBL8290179 | 0.65 | — | — | |
| SCHEMBL8267051 | 0.65 | — | — | |
| SCHEMBL8347754 | 0.65 | — | — |
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-0389765-B1 | Calcium antagonists | MERRELL DOW PHARMA (US) | 1994-08-24 | — | — | EP | disclosed |
| US-5106845-A | Calcium antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0389765-A1 | Calcium antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-10-03 | — | — | EP | disclosed |