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 | 14/20 | 0.66 |
| ▸ | NOS3 | P29474 | 13/20 | 0.66 |
| ▸ | NOS2 | P35228 | 8/20 | 0.66 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.54 |
| ▸ | HTR3B | O95264 | 2/20 | 0.54 |
| ▸ | HTR3A | P46098 | 2/20 | 0.54 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.54 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.54 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.54 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.54 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.54 |
| ▸ | PLAU | P00749 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.48 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.48 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10189842 | 0.98 | NOS1 (0.64) | NOS1NOS3NOS2HTR3EHTR3B | |
| SCHEMBL7403875 | 0.98 | NOS1 (0.64) | NOS1NOS3NOS2HTR3EHTR3B | |
| Iodide SCHEMBL10827683 | 0.81 | NOS3 (0.69) | NOS1NOS3NOS2HTR3EHTR3B | |
| Iodide SCHEMBL8122739 | 0.79 | NOS3 (1.00) | NOS1NOS3NOS2HTR3EHTR3B | |
| Iodide SCHEMBL11683524 | 0.78 | NOS1 (1.00) | NOS1NOS3NOS2 | |
| Iodide SCHEMBL8867341 | 0.77 | NOS1 (0.50) | NOS1NOS3NOS2HTR3EHTR3B | |
| SCHEMBL11757745 | 0.77 | NOS1 (0.59) | NOS1NOS3NOS2HTR3EHTR3B | |
| SCHEMBL16707809 | 0.77 | NOS1 (0.66) | NOS1NOS3NOS2SLC22A2SLC22A1 | |
| SCHEMBL319881 | 0.77 | NOS1 (0.66) | NOS1NOS3NOS2SLC22A2SLC22A1 | |
| SCHEMBL31398620 | 0.76 | NOS1 (0.68) | NOS1NOS3NOS2KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5849744-A | Pyrrolyl tetrahydrobenzoquinoxaline diones, their preparation and use as glutamate receptor antagonist | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-15 | — | — | US | disclosed |
| US-5849743-A | Quinoxalines and drugs prepared therefrom | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-15 | — | — | US | disclosed |
| US-4626537-A | Guanidines, pharmaceutical compositions and use | CIBA-GEIGY CORPORATION (US) | 1986-12-02 | — | — | US | disclosed |
| US-4056527-A | HERBICIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-01 | — | — | US | disclosed |