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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 3/20 | 0.50 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.50 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.50 |
| ▸ | CDC25A | P30304 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 4/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | GBA2 | Q9HCG7 | 8/20 | 0.33 |
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 SCHEMBL8913886 | 0.93 | GNAI3 (0.54) | GNAI3GNAO1GNAI1CDC25AMEN1 | |
| SCHEMBL4902014 | 0.91 | GNAI3 (0.46) | GNAI3GNAO1GNAI1CDC25AMEN1 | |
| Iodide SCHEMBL8914236 | 0.84 | KDM4E (0.50) | GNAI3GNAO1GNAI1CDC25AMEN1 | |
| SCHEMBL4904853 | 0.84 | GNAI3 (0.38) | GNAI3GNAO1GNAI1KDM4E | |
| Bromide SCHEMBL6553931 | 0.81 | GNAI3 (0.41) | GNAI3GNAO1GNAI1MEN1THRB | |
| Iodide SCHEMBL8913917 | 0.80 | CDC25A (0.61) | GNAI3GNAO1GNAI1CDC25AMEN1 | |
| SCHEMBL4906919 | 0.78 | KDM4E (0.36) | GNAI3GNAO1GNAI1ALDH1A1KDM4E | |
| Iodide SCHEMBL8916069 | 0.77 | LMNA (0.50) | GNAI3GNAO1GNAI1CDC25AMEN1 | |
| SCHEMBL3822014 | 0.76 | GNAI3 (0.55) | GNAI3GNAO1GNAI1 | |
| SCHEMBL4904983 | 0.74 | KDM4E (0.50) | GNAI3GNAO1GNAI1CDC25AMEN1 |
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-5614548-A | TREATING TUMORS AND HIV INFECTION, PROTEIN KINASE C INHIBITORS | WAKE FOREST UNIVERSITY (US) | 1997-03-25 | — | — | US | disclosed |
| WO-1990004918-A2 | QUATERNARY AMINE CONTAINING ETHER OR ESTER LIPID DERIVATIVES AND THERAPEUTIC COMPOSITIONS | WAKE FOREST UNIVERSITY (US) | 1990-05-17 | — | — | WO | disclosed |