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 | |
|---|---|---|---|---|
| ▸ | SCNN1A | P37088 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.35 |
| ▸ | UBE2N | P61088 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | TARBP2 | Q15633 | 2/20 | 0.34 |
| ▸ | PDCD4 | Q53EL6 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12635760 | 0.99 | SCNN1A (0.38) | SCNN1AMAPTNPC1NLRP3GABRA2 | |
| Iodide SCHEMBL2018286 | 0.95 | SCNN1A (0.38) | SCNN1AMAPTNPC1NLRP3GABRA2 | |
| SCHEMBL12636304 | 0.94 | SCNN1A (0.38) | SCNN1AMAPTNPC1NLRP3GABRA2 | |
| Iodide SCHEMBL2053822 | 0.88 | SCNN1A (0.36) | SCNN1AMAPTNPC1NLRP3SMN1; SMN2 | |
| Iodide SCHEMBL2013734 | 0.87 | SCNN1A (0.41) | SCNN1AMAPTALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL2014693 | 0.87 | SCNN1A (0.37) | SCNN1AMAPTNPC1NLRP3GABRA2 | |
| SCHEMBL12635745 | 0.86 | SCNN1A (0.42) | SCNN1AMAPTALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL2016509 | 0.86 | SCNN1A (0.39) | SCNN1AMAPTGABRA2GABRB2MEN1 | |
| Iodide SCHEMBL2017093 | 0.86 | ELANE (0.33) | GABRA2GABRB2MEN1APAF1USP2 | |
| SCHEMBL12636287 | 0.85 | SCNN1A (0.39) | SCNN1AMAPTGABRA2GABRB2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011079087-A1 | ENAC BLOCKERS | GLAXO GROUP LIMITED (GB) | 2011-06-30 | — | — | WO | claimed |
| WO-2011079087-A1 | ENAC BLOCKERS | GLAXO GROUP LIMITED (GB) | 2011-06-30 | — | — | WO | disclosed |