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 | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.33 |
| ▸ | TUBB | P07437 | 2/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7300823 | 0.83 | CYP2C9 (0.74) | CYP2C9PMP22NPSR1MEN1LMNA | |
| Iodide SCHEMBL7302070 | 0.77 | CYP2C9 (0.56) | CYP2C9PMP22NPSR1MEN1LMNA | |
| Iodide SCHEMBL7304421 | 0.76 | HTR4 (0.71) | CYP2C9PMP22NPSR1MEN1LMNA | |
| SCHEMBL7333132 | 0.75 | HTR4 (0.73) | CYP2C9PMP22NPSR1MEN1LMNA | |
| SCHEMBL2940596 | 0.73 | CYP2C9 (0.94) | CYP2C9PMP22NPSR1MEN1LMNA | |
| SCHEMBL29385613 | 0.73 | CYP2C9 (0.94) | CYP2C9PMP22NPSR1MEN1LMNA | |
| SCHEMBL7302574 | 0.73 | CYP2C9 (0.95) | CYP2C9PMP22NPSR1MEN1LMNA | |
| Hydrochloric Acid SCHEMBL7295175 | 0.73 | CYP2C9 (0.92) | CYP2C9PMP22NPSR1MEN1LMNA | |
| SCHEMBL7260342 | 0.73 | HTR4 (0.64) | CYP2C9PMP22NPSR1MEN1LMNA | |
| SCHEMBL7292069 | 0.72 | CYP2C9 (0.78) | CYP2C9PMP22NPSR1MEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993014745-A1 | USE OF 5-HT4 RECEPTOR ANTAGONISTS AS MEDICAMENTS FOR TREATING MIGRAINE | SMITHKLINE BEECHAM PLC (GB) | 1993-08-05 | — | — | WO | claimed |