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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 16/20 | 0.50 |
| ▸ | NOS3 | P29474 | 14/20 | 0.50 |
| ▸ | NOS2 | P35228 | 11/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5228888 | 0.77 | HTR3E (0.59) | NOS1NOS3NOS2HTR3EHTR3B | |
| Iodide SCHEMBL8621155 | 0.77 | NOS1 (0.66) | NOS1NOS3NOS2HTR3EHTR3B | |
| SCHEMBL14938205 | 0.77 | NOS1 (0.71) | NOS1NOS3NOS2KDM4EALDH1A1 | |
| SCHEMBL319881 | 0.76 | NOS1 (0.66) | NOS1NOS3NOS2KDM4EALDH1A1 | |
| SCHEMBL7403875 | 0.75 | NOS1 (0.64) | NOS1NOS3NOS2HTR3EHTR3B | |
| SCHEMBL10189842 | 0.75 | NOS1 (0.64) | NOS1NOS3NOS2HTR3EHTR3B | |
| SCHEMBL8335518 | 0.73 | NOS1 (0.71) | NOS1NOS3NOS2MAPTSMN1; SMN2 | |
| SCHEMBL6225144 | 0.73 | NOS1 (0.71) | NOS1NOS3NOS2MAPTSMN1; SMN2 | |
| Iodide SCHEMBL9202763 | 0.73 | NOS1 (0.68) | NOS1NOS3NOS2KDM4EALDH1A1 | |
| SCHEMBL8867324 | 0.71 | NOS1 (0.60) | NOS1ALDH1A1IDO1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5670456-A | Compounds | SANDOZ LTD. (CH) | 1997-09-23 | — | — | US | disclosed |
| US-5506191-A | Heterocyclic hydrazines and hydrazones | SANDOZ LTD. (CH) | 1996-04-09 | — | — | US | disclosed |