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 | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 3/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.35 |
| ▸ | OXTR | P30559 | 1/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 5/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7405916 | 0.99 | NR3C1 (0.46) | NR3C1PDK1PDK2PDK3PDK4 | |
| SCHEMBL6981742 | 0.90 | NR3C1 (0.49) | NR3C1ALDH1A1LMNAAVPR2OXTR | |
| Iodide SCHEMBL7960633 | 0.89 | F2 (0.41) | NR3C1PDK1PDK2PDK3PDK4 | |
| SCHEMBL6985993 | 0.88 | NR3C1 (0.46) | NR3C1PDK1PDK2PDK3PDK4 | |
| SCHEMBL6985778 | 0.86 | NR3C1 (0.43) | NR3C1PDK1PDK2PDK3PDK4 | |
| SCHEMBL7958935 | 0.83 | F10 (0.41) | NR3C1PDK1PDK2PDK3PDK4 | |
| Hydrochloric Acid SCHEMBL6979622 | 0.83 | F2 (0.39) | NR3C1PDK1PDK2PDK3PDK4 | |
| SCHEMBL7958921 | 0.81 | F2 (0.52) | NR3C1PDK1PDK2PDK3PDK4 | |
| Iodide SCHEMBL7956718 | 0.81 | F2 (0.39) | NR3C1PDK1PDK2PDK3PDK4 | |
| Hydrochloric Acid SCHEMBL6977886 | 0.80 | F2 (0.51) | PDK1PDK2PDK3PDK4F10 |
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-6300342-B1 | FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION | BOEHRINGER INGELHEIM PHARM KG (DE) | 2001-10-09 | — | — | US | disclosed |