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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 2/20 | 0.42 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.42 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.42 |
| ▸ | GBA1 | P04062 | 8/20 | 0.40 |
| ▸ | GBA2 | Q9HCG7 | 13/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | UGCG | Q16739 | 1/20 | 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 SCHEMBL7216931 | 0.98 | GNAI3 (0.46) | GNAI3GNAO1GNAI1GBA1GBA2 | |
| Hydrochloric Acid SCHEMBL7224340 | 0.95 | GNAI3 (0.47) | GNAI3GNAO1GNAI1GBA1GBA2 | |
| Bromide SCHEMBL4651690 | 0.95 | GNAI3 (0.42) | GNAI3GNAO1GNAI1GBA1GBA2 | |
| Bromide SCHEMBL4651634 | 0.93 | GNAI3 (0.46) | GNAI3GNAO1GNAI1GBA1GBA2 | |
| Hydrochloric Acid SCHEMBL7216913 | 0.93 | GNAI3 (0.50) | GNAI3GNAO1GNAI1GBA1GBA2 | |
| Iodide SCHEMBL7218749 | 0.93 | GBA2 (0.39) | GNAI3GNAO1GNAI1GBA1GBA2 | |
| SCHEMBL27485494 | 0.91 | GBA2 (0.40) | GNAI3GNAO1GNAI1GBA1GBA2 | |
| Bromide SCHEMBL4652944 | 0.88 | GBA2 (0.39) | GNAI3GNAO1GNAI1GBA1GBA2 | |
| Hydrochloric Acid SCHEMBL7224242 | 0.88 | GNAI3 (0.39) | GNAI3GNAO1GNAI1GBA1GBA2 | |
| Iodide SCHEMBL7217076 | 0.83 | GBA1 (0.35) | GBA1GAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6632949-B2 | Difluoro-diamine methylene derivatives | MITSUI CHEMICALS, INC. (JP) | 2003-10-14 | — | — | US | disclosed |
| EP-0949226-B1 | Process for the preparation of acetylene derivatives | MITSUI CHEMICALS INC (JP) | 2002-07-17 | — | — | EP | disclosed |
| US-6329529-B1 | FOR FLUORINATING OF ORGANIC COMPOUNDS, EFFICIENCY, POLLUTION CONTROL | MITSUI CHEMICALS, INC. (JP) | 2001-12-11 | — | — | US | disclosed |
| US-6127583-A | Process for preparing acetylene derivative from a ketone compound | MITSUI CHEMICALS, INC. (JP) | 2000-10-03 | — | — | US | disclosed |
| EP-0949226-A1 | Process for the preparation of acetylene derivatives | Mitsui Chemicals, Inc. (JP) | 1999-10-13 | — | — | EP | disclosed |
| EP-0895991-A2 | Halogenating agent | Mitsui Chemicals, Inc. (JP) | 1999-02-10 | — | — | EP | disclosed |