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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.48 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 5/20 | 0.45 |
| ▸ | KRAS | P01116 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | QPCT | Q16769 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ICMT | O60725 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13539150 | 0.83 | PGR (0.48) | CNR2ABCC2ICMT | |
| SCHEMBL12206640 | 0.76 | CNR2 (0.54) | CNR2CNR1ALDH1A1ICMT | |
| SCHEMBL28641161 | 0.74 | CNR2 (0.55) | CNR2ABCC2CNR1LMNAICMT | |
| SCHEMBL30040021 | 0.74 | CNR2 (0.55) | CNR2ABCC2CNR1LMNAICMT | |
| SCHEMBL435200 | 0.74 | SIGMAR1 (0.56) | CNR2MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL30662496 | 0.74 | SIGMAR1 (0.56) | CNR2MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL11893549 | 0.73 | CNR2 (0.55) | CNR2ABCC2CNR1ICMT | |
| SCHEMBL2382103 | 0.73 | PDK1 (0.40) | ABCC2KRASGSK3BMAPT | |
| SCHEMBL20787968 | 0.73 | HDAC1 (0.48) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL14947363 | 0.72 | PGR (0.45) | CNR2ICMT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101585797-A | 1-butyl-2,3,3-methyl-5-bromoindole iodide and preparation method thereof | UNIV EAST CHINA SCIENCE & TECH (CN) | 2009-11-25 | — | — | CN | disclosed |
| CN-101585797-A | 1-butyl-2,3,3-methyl-5-bromoindole iodide and preparation method thereof | UNIV EAST CHINA SCIENCE & TECH (CN) | 2009-11-25 | — | — | CN | disclosed |