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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | GFER | P55789 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL16026437 | 0.87 | ALDH1A1 (0.83) | ALDH1A1NPSR1HTTMAPK1LMNA | |
| SCHEMBL3093579 | 0.85 | ALDH1A1 (0.71) | ALDH1A1NPSR1HTTMAPK1LMNA | |
| Iodide SCHEMBL11387520 | 0.84 | ALDH1A1 (0.74) | ALDH1A1NPSR1HTTMAPK1LMNA | |
| SCHEMBL11392943 | 0.83 | ALDH1A1 (0.77) | ALDH1A1NPSR1HTTMAPK1LMNA | |
| Iodide SCHEMBL11812466 | 0.81 | ALDH1A1 (0.60) | ALDH1A1NPSR1HTTMAPK1LMNA | |
| SCHEMBL3099181 | 0.80 | ALDH1A1 (0.73) | ALDH1A1NPSR1HTTMAPK1LMNA | |
| SCHEMBL1372144 | 0.80 | ALDH1A1 (0.73) | ALDH1A1NPSR1HTTMAPK1LMNA | |
| SCHEMBL1372147 | 0.79 | CYP1A2 (0.75) | ALDH1A1NPSR1HTTMAPK1LMNA | |
| SCHEMBL13804475 | 0.79 | ALDH1A1 (0.71) | ALDH1A1NPSR1HTTMAPK1LMNA | |
| SCHEMBL4748498 | 0.78 | ALDH1A1 (0.87) | ALDH1A1NPSR1HTTMAPK1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-3935213-A | Process for hypotensive 4-amino-2-(piperazin-1-yl) quinazoline derivatives | PFIZER INC. (US) | 1976-01-27 | — | — | US | disclosed |