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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 SCHEMBL7541332 | 0.77 | MEN1 (0.33) | SIGMAR1 | |
| SCHEMBL8358137 | 0.77 | SIGMAR1 (0.81) | SIGMAR1HPGDMKNK1MKNK2RXFP1 | |
| SCHEMBL30798838 | 0.76 | SIGMAR1 (0.68) | SIGMAR1HPGDMKNK1MKNK2PARP1 | |
| SCHEMBL22322909 | 0.76 | SIGMAR1 (0.58) | SIGMAR1HPGDMKNK1MKNK2PARP1 | |
| SCHEMBL8357615 | 0.73 | SIGMAR1 (0.64) | SIGMAR1HPGDMKNK1MKNK2PARP1 | |
| SCHEMBL1409459 | 0.73 | SIGMAR1 (0.68) | SIGMAR1HPGDMKNK1MKNK2RXFP1 | |
| SCHEMBL894920 | 0.72 | SIGMAR1 (1.00) | SIGMAR1HPGDMKNK1MKNK2RXFP1 | |
| SCHEMBL3583338 | 0.72 | HPGD (0.73) | SIGMAR1HPGDMKNK1MKNK2ALDH1A1 | |
| SCHEMBL28393 | 0.72 | SIGMAR1 (1.00) | SIGMAR1HPGDMKNK1MKNK2RXFP1 | |
| SCHEMBL8260488 | 0.72 | SIGMAR1 (0.72) | SIGMAR1HPGDMKNK1MKNK2GABRD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1211249-A1 | NOVEL THIAZINE OR PYRAZINE DERIVATIVES | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2002-06-05 | — | — | EP | disclosed |