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 | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | PSMB11 | A5LHX3 | 4/20 | 0.37 |
| ▸ | PSMA7 | O14818 | 4/20 | 0.37 |
| ▸ | PSMB1 | P20618 | 4/20 | 0.37 |
| ▸ | PSMA1 | P25786 | 4/20 | 0.37 |
| ▸ | PSMA2 | P25787 | 4/20 | 0.37 |
| ▸ | PSMA3 | P25788 | 4/20 | 0.37 |
| ▸ | PSMA4 | P25789 | 4/20 | 0.37 |
| ▸ | PSMB8 | P28062 | 4/20 | 0.37 |
| ▸ | PSMB9 | P28065 | 4/20 | 0.37 |
| ▸ | PSMA5 | P28066 | 4/20 | 0.37 |
| ▸ | PSMB4 | P28070 | 4/20 | 0.37 |
| ▸ | PSMB6 | P28072 | 4/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 4/20 | 0.37 |
| ▸ | PSMB10 | P40306 | 4/20 | 0.37 |
| ▸ | PSMB3 | P49720 | 4/20 | 0.37 |
| ▸ | PSMB2 | P49721 | 4/20 | 0.37 |
| ▸ | PSMA6 | P60900 | 4/20 | 0.37 |
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 SCHEMBL8830365 | 0.92 | ROCK2 (0.39) | ROCK2MAPTTDP1PSMB11PSMA7 | |
| SCHEMBL8830373 | 0.91 | ROCK2 (0.40) | ROCK2MAPTTDP1PSMB11PSMA7 | |
| SCHEMBL8830341 | 0.88 | MAPT (0.40) | ROCK2MAPTTDP1PSMB11PSMA7 | |
| SCHEMBL8830446 | 0.86 | PSMB11 (0.43) | ROCK2MAPTTDP1PSMB11PSMA7 | |
| Iodide SCHEMBL9223883 | 0.80 | CCKBR (0.43) | ROCK2MAPTTDP1MMP1MMP3 | |
| Iodide SCHEMBL9223621 | 0.80 | MAPT (0.43) | MAPTTDP1MMP1MMP3MMP9 | |
| Iodide SCHEMBL9866100 | 0.76 | MAPT (0.43) | ROCK2MAPTTDP1RENPOLB | |
| Trifluoroacetic Acid SCHEMBL8830436 | 0.73 | ITGB3 (0.46) | — | |
| Iodide SCHEMBL9221941 | 0.72 | CCKBR (0.43) | ROCK2MAPTTDP1MMP1MMP3 | |
| Iodide SCHEMBL9215204 | 0.71 | ITGB3 (0.51) | MAPTTDP1MMP1MMP3MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5663297-A | OLIGOPEPTIDES | HOFFMANN-LA ROCHE INC. (US) | 1997-09-02 | — | — | US | disclosed |