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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9024536 | 0.98 | KDM4E (0.41) | KDM4EALDH1A1USP2RECQLLMNA | |
| SCHEMBL23709900 | 0.80 | KDM4E (0.44) | KDM4EALDH1A1USP2RECQLLMNA | |
| SCHEMBL8436343 | 0.78 | KDM4E (0.41) | KDM4EALDH1A1USP2RECQLLMNA | |
| SCHEMBL15546688 | 0.78 | PRSS1 (0.41) | KDM4EALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL9025129 | 0.78 | NCF1 (0.42) | KDM4EALDH1A1USP2RECQLLMNA | |
| Hydrochloric Acid SCHEMBL8438565 | 0.77 | KDM4E (0.40) | KDM4EALDH1A1USP2RECQLLMNA | |
| Iodide SCHEMBL7162307 | 0.77 | ADRA2B (0.35) | ALDH1A1GAAHTTNQO2 | |
| SCHEMBL9024162 | 0.75 | ADRA2B (0.36) | KDM4EALDH1A1LMNAMAPTGAA | |
| SCHEMBL15041173 | 0.74 | LMNA (0.39) | KDM4ELMNAHPGDMAPTHSD17B10 | |
| Iodide SCHEMBL7164050 | 0.73 | POLB (0.42) | ALDH1A1LMNAMAPTTSHRMEN1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6565614-B1 | Mixture containing quaternary ammonium compound | L'OREAL (FR) | 2003-05-20 | — | — | US | claimed |
| EP-0544400-B1 | P-Phenylenediamine substituted by a quaternary ammonium group and an electron withdrawing group | BRISTOL MYERS SQUIBB CO (US) | 1996-03-13 | — | — | EP | claimed |
| EP-0544400-A2 | P-Phenylenediamine substituted by a quaternary ammonium group and an electron withdrawing group | Bristol-Myers Squibb Company (US) | 1993-06-02 | — | — | EP | claimed |
| US-5198584-A | Developers for hair dyes | CLAIROL INC. (US) | 1993-03-30 | — | — | US | claimed |
| US-5139532-A | In a tinctorially effective hair dye developer also containing and an adjuvant selected from surfactans, alkalizing agents, thickeners, chealting agents and perfumes | CLAIROL, INC. (US) | 1992-08-18 | — | — | US | claimed |
| US-6565614-B1 | Mixture containing quaternary ammonium compound | L'OREAL (FR) | 2003-05-20 | — | — | US | disclosed |
| EP-0544400-B1 | P-Phenylenediamine substituted by a quaternary ammonium group and an electron withdrawing group | BRISTOL MYERS SQUIBB CO (US) | 1996-03-13 | — | — | EP | disclosed |
| EP-0544400-A2 | P-Phenylenediamine substituted by a quaternary ammonium group and an electron withdrawing group | Bristol-Myers Squibb Company (US) | 1993-06-02 | — | — | EP | disclosed |
| US-5198584-A | Developers for hair dyes | CLAIROL INC. (US) | 1993-03-30 | — | — | US | disclosed |
| US-5139532-A | In a tinctorially effective hair dye developer also containing and an adjuvant selected from surfactans, alkalizing agents, thickeners, chealting agents and perfumes | CLAIROL, INC. (US) | 1992-08-18 | — | — | US | disclosed |