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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 6/20 | 0.33 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 SCHEMBL8384545 | 0.83 | FDPS (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4CHRM2 | |
| SCHEMBL8385047 | 0.82 | FDPS (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4CHRM2 | |
| Hydrochloric Acid SCHEMBL8467473 | 0.80 | FDPS (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4CHRM2 | |
| Bromide SCHEMBL7860127 | 0.79 | RAB9A (0.30) | RAB9A | |
| SCHEMBL8778371 | 0.77 | CHRNB2 (0.33) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| Iodide SCHEMBL8715336 | 0.76 | CHRNB2 (0.30) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL8468414 | 0.76 | CHRNB2 (0.33) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL8778309 | 0.76 | FDPS (0.35) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL8468445 | 0.75 | FDPS (0.34) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Iodide SCHEMBL8716089 | 0.74 | FDPS (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0788362-B1 | PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMA (US) | 2001-07-25 | — | — | EP | disclosed |
| US-5760021-A | TREATING OR PREVENTING METABOLIC BONE DISORDERS | THE PROCTER & GAMBLE COMPANY (US) | 1998-06-02 | — | — | US | disclosed |
| EP-0788362-A1 | PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1997-08-13 | — | — | EP | disclosed |
| WO-1993024131-A1 | PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1993-12-09 | — | — | WO | disclosed |