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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | FBP1 | P09467 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL117901 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| Benzene SCHEMBL7850990 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| Ethylene SCHEMBL27501133 | 0.95 | ALDH1A1 (0.48) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| Butadiene SCHEMBL27714940 | 0.93 | ALDH1A1 (0.46) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| Styrene SCHEMBL9849012 | 0.91 | ALDH1A1 (0.64) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| Styrene SCHEMBL27756737 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| Acrylonitrile SCHEMBL27815830 | 0.85 | MCL1 (0.42) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| SCHEMBL1456820 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| SCHEMBL10643212 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TSHRAKR1C3AKR1C1AKT1 | |
| SCHEMBL28555738 | 0.84 | TP53 (0.53) | ALDH1A1TSHRCYP3A4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6727400-B2 | BY OXIDATION USING ANIONIC EXCHANGE RESIN COMPRISING DIVINYLBENZENE-STYRENE RESIN CONTAINING TRIHALOGEN IONS (TRIOSYN); REDUCTION OF STOCKPILED CHEMICAL WARFARE AGENTS SUCH AS SOMAN, MUSTARD AND VX | TRIOSYN HOLDINGS, INC. | 2004-04-27 | — | — | US | disclosed |
| EP-1199934-B1 | TOPICAL ANTISEPTIC COMPOSITION | TRIOSYN HOLDING INC (CA) | 2004-02-25 | — | — | EP | disclosed |
| US-6562885-B1 | Activated anion exchange resin having a particle size substantially in the range of about 0.1-300 microns, which resin particles have been iodinated by exposure to a sufficient amount of an iodine-substance absorbable by the | BATTELLE MEMORIAL INSTITUTE | 2003-05-13 | — | — | US | disclosed |
| US-20020016524-A1 | DEACTIVATION OF TOXIC CHEMICAL AGENTS | TRIOSYN CORP. (CA) | 2002-02-07 | — | — | US | disclosed |
| WO-2001010208-A1 | DEACTIVATION OF TOXIC BIOLOGICAL AGENTS IN BIOLOGICAL FLUIDS SUCH AS BLOOD | HEMO-BIOTECH, INC. (CA) | 2001-02-15 | — | — | WO | disclosed |
| EP-1063890-A1 | COMPOSITION FOR DEACTIVATING CHEMICALLY AND BIOLOGICALLY ACTIVE AGENTS | BATTELLE MEMORIAL INSTITUTE (US) | 2001-01-03 | — | — | EP | disclosed |
| WO-2000074787-A1 | DEACTIVATION OF TOXIC CHEMICAL AGENTS | MESSIER PIERRE JEAN (CA) | 2000-12-14 | — | — | WO | disclosed |
| WO-1999046990-A9 | COMPOSITION FOR DEACTIVATING CHEMICALLY AND BIOLOGICALLY ACTIVE AGENTS | BATTELLE MEMORIAL INSTITUTE (US) | 1999-11-18 | — | — | WO | disclosed |
| WO-1999046990-A1 | COMPOSITION FOR DEACTIVATING CHEMICALLY AND BIOLOGICALLY ACTIVE AGENTS | BATTELLE MEMORIAL INSTITUTE (US) | 1999-09-23 | — | — | WO | disclosed |