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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | ESRRG | P62508 | 3/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | IKBKB | O14920 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
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 SCHEMBL6610905 | 1.00 | RAB9A (0.39) | RAB9AKDM4ENPC1ALDH1A1HPGD | |
| Iodide SCHEMBL6607595 | 0.86 | KDM4E (0.38) | RAB9AKDM4ENPC1ALDH1A1HPGD | |
| Iodide SCHEMBL6607589 | 0.86 | KDM4E (0.38) | RAB9AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL6610831 | 0.67 | KDM4E (0.43) | RAB9AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL6612447 | 0.67 | KDM4E (0.43) | RAB9AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL6612448 | 0.67 | KDM4E (0.43) | RAB9AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL6610835 | 0.67 | KDM4E (0.43) | RAB9AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL27358085 | 0.67 | IKBKB (0.69) | RAB9AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL27569685 | 0.66 | RAB9A (0.46) | RAB9AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL27569714 | 0.66 | RAB9A (0.46) | RAB9AKDM4ENPC1ALDH1A1HPGD |
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-1140895-B1 | THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP | FUJISAWA PHARMACEUTICAL CO (JP) | 2004-03-24 | — | — | EP | disclosed |