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 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL723719 | 0.97 | HIF1A (0.39) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| SCHEMBL29466729 | 0.94 | HIF1A (0.41) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Water SCHEMBL4816145 | 0.92 | HIF1A (0.39) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| SCHEMBL7865522 | 0.92 | HIF1A (0.39) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Fluoride Ion SCHEMBL7874729 | 0.92 | HIF1A (0.39) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL7874744 | 0.92 | HIF1A (0.39) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Bromide SCHEMBL1010505 | 0.92 | HIF1A (0.39) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Fluoride SCHEMBL10615440 | 0.89 | HIF1A (0.38) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Fluoride Ion SCHEMBL10604942 | 0.89 | HIF1A (0.38) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Bromide SCHEMBL8986440 | 0.86 | HIF1A (0.36) | HIF1ATDP1ESR1TAAR1SLC6A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2141146-A1 | Calcilytic compounds | SmithKline Beecham Corporation (US) | 2010-01-06 | — | — | EP | disclosed |
| EP-1254106-B1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2009-02-25 | — | — | EP | disclosed |
| US-7109238-B2 | Calcilytic compounds | SMITH KLINE BEECHAM CORPORATION (US) | 2006-09-19 | — | — | US | disclosed |
| EP-1254106-A4 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2005-09-14 | — | — | EP | disclosed |
| US-20040192741-A1 | Calcilytic compounds | SMITHKLINE BEECHAM CORPORATION & NPS PHARMACEUTICALS | 2004-09-30 | — | — | US | disclosed |
| US-20030018203-A1 | Calcilytic compounds | NPS PHARMACEUTICALS, INC. | 2003-01-23 | — | — | US | disclosed |
| EP-1254106-A1 | CALCILYTIC COMPOUNDS | SmithKline Beecham Corporation (US) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001053254-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-07-26 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030018203-A1 | Calcilytic compounds | SOST, CALCB, CALCR | ACHE 3062/4885HIF1A 4513/4885TDP1 3662/4885 |
| US-20040192741-A1 | Calcilytic compounds | SOST, CALCB, CALCR | ACHE 3062/4885HIF1A 4513/4885TDP1 3662/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.