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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.66 |
| ▸ | RAB9A | P51151 | 3/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | MEN1 | O00255 | 2/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.66 |
| ▸ | MAPT | P10636 | 2/20 | 0.66 |
| ▸ | STAT3 | P40763 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | KDM4A | O75164 | 2/20 | 0.48 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.48 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 4/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
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 SCHEMBL6558846 | 1.00 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| Iodide SCHEMBL6859861 | 0.82 | KMT2A (0.69) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| Iodide SCHEMBL6559819 | 0.82 | KMT2A (0.69) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL9588524 | 0.80 | RAB9A (0.67) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| Iodide SCHEMBL6559782 | 0.80 | MEN1 (0.62) | NPC1RAB9AMEN1KMT2ATRPA1 | |
| SCHEMBL7568952 | 0.80 | KMT2A (0.67) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL29620208 | 0.80 | RAB9A (0.67) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| Iodide SCHEMBL6858468 | 0.80 | MEN1 (0.62) | NPC1RAB9AMEN1KMT2ATRPA1 | |
| SCHEMBL12657103 | 0.80 | RAB9A (0.67) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL1898847 | 0.80 | RAB9A (0.67) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 |
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-6790239-B1 | COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-09-14 | — | — | US | claimed |
| US-6790239-B1 | COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-09-14 | — | — | US | disclosed |