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 | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | ADK | P55263 | 1/20 | 0.49 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.49 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.40 |
| ▸ | CBFB | Q13951 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL1288383 | 0.98 | NPY5R (0.52) | NPY5RMTORADKNISCHXDH | |
| SCHEMBL6002994 | 0.87 | NISCH (0.47) | NPY5RMTORADKNISCHXDH | |
| SCHEMBL6002386 | 0.84 | NISCH (0.50) | NPY5RMTORADKNISCHSCN9A | |
| SCHEMBL6002867 | 0.83 | SMPD3 (0.45) | NPY5RMTORADKNISCHSCN9A | |
| Iodide SCHEMBL27800424 | 0.81 | CYP1A2 (0.54) | NPY5RMTORADKNISCHSCN9A | |
| SCHEMBL2652422 | 0.81 | NISCH (0.50) | MTORADKNISCHKCNH2MRGPRX4 | |
| SCHEMBL1288638 | 0.80 | CYP1A2 (0.55) | NPY5RMTORADKNISCHSCN9A | |
| SCHEMBL10276854 | 0.79 | NISCH (0.51) | MTORADKNISCHSCN9ADYRK1A | |
| SCHEMBL2097606 | 0.78 | NISCH (0.55) | MTORADKNISCHSCN9ADYRK1A | |
| SCHEMBL2097610 | 0.78 | DYRK1A (0.57) | NPY5RMTORADKNISCHDYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101687844-B | Imidazole derivatives as CCR2 receptor antagonists | HOFFMANN LA ROCHE | 2013-11-13 | — | — | CN | disclosed |
| CN-101687844-A | Imidazole derivatives as CCR2 receptor antagonists | HOFFMANN LA ROCHE | 2010-03-31 | — | — | CN | disclosed |