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 | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.47 |
| ▸ | NOS3 | P29474 | 4/20 | 0.47 |
| ▸ | NOS2 | P35228 | 4/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.47 |
| ▸ | HTR3B | O95264 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.47 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 SCHEMBL17574642 | 1.00 | NOS1 (0.47) | NOS1NOS3NOS2HTR3EHTR3B | |
| SCHEMBL11260134 | 0.77 | NOS1 (0.48) | NOS1NOS3NOS2HTR3EHTR3B | |
| SCHEMBL27981468 | 0.77 | HTR3E (0.52) | NOS1NOS3NOS2HTR3EHTR3B | |
| Iodide SCHEMBL1061363 | 0.73 | NOS3 (0.58) | NOS1NOS3NOS2HTR3EHTR3B | |
| Iodide SCHEMBL1061364 | 0.73 | NOS3 (0.58) | NOS1NOS3NOS2HTR3EHTR3B | |
| SCHEMBL11778198 | 0.73 | CA1 (0.53) | NOS1NOS3ALDH1A1TSHRHPGD | |
| SCHEMBL9882801 | 0.71 | NOS3 (0.56) | NOS1NOS3NOS2HTR3EHTR3B | |
| SCHEMBL8334204 | 0.71 | HTR3E (0.45) | NOS1NOS3NOS2HTR3EHTR3B | |
| SCHEMBL5934100 | 0.71 | HTR3E (0.45) | NOS1NOS3NOS2HTR3EHTR3B | |
| SCHEMBL134870 | 0.71 | HTR3E (0.45) | NOS1NOS3NOS2HTR3EHTR3B |
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-9283254-B2 | Compositions and methods for enhancing virus efficacy | OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) | 2016-03-15 | — | — | US | disclosed |