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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 9/20 | 0.68 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.50 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.50 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.50 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL15212223 | 0.89 | CHKA (0.50) | CHKABCHEACHEALDH1A1MEN1 | |
| SCHEMBL6784241 | 0.87 | CHKA (0.52) | CHKABCHEACHEALDH1A1MEN1 | |
| SCHEMBL17327846 | 0.85 | CHKA (0.53) | CHKABCHEACHEALDH1A1MEN1 | |
| Water SCHEMBL15212791 | 0.85 | CHKA (0.50) | CHKABCHEACHEALDH1A1MEN1 | |
| SCHEMBL49273 | 0.82 | CHKA (1.00) | CHKAAPOBEC3GADRB2NCF1PLD1 | |
| Iodide SCHEMBL15212761 | 0.81 | CHKA (0.61) | CHKAADRB2NCF1PLD1BCHE | |
| Iodide SCHEMBL14249446 | 0.80 | CHKA (0.95) | CHKAAPOBEC3GADRB2NCF1PLD1 | |
| Hydrochloric Acid SCHEMBL29467719 | 0.80 | CHKA (0.95) | CHKAAPOBEC3GADRB2NCF1PLD1 | |
| SCHEMBL2205366 | 0.80 | CHKA (0.95) | CHKAAPOBEC3GADRB2NCF1PLD1 | |
| SCHEMBL30575196 | 0.80 | CHKA (0.95) | CHKAAPOBEC3GADRB2NCF1PLD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2817262-A1 | MOLECULAR SIEVE MATERIAL, ITS SYNTHESIS AND USE | ExxonMobil Chemical Patents Inc. (US) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013126140-A1 | MOLECULAR SIEVE MATERIAL, ITS SYNTHESIS AND USE | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2013-08-29 | — | — | WO | disclosed |