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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 7/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TERT | O14746 | 1/20 | 0.41 |
| ▸ | S100B | P04271 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1583090 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CYP3A4KDM4EHSD17B10THRB | |
| Iodide SCHEMBL1582785 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CYP3A4KDM4EHSD17B10THRB | |
| SCHEMBL1583219 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP3A4KDM4EHSD17B10THRB | |
| Iodide SCHEMBL1582783 | 0.80 | BCHE (0.46) | ALDH1A1KDM4EHSD17B10THRBTDP1 | |
| Iodide SCHEMBL1582613 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP3A4KDM4ETHRBRECQL | |
| SCHEMBL29914685 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CYP3A4KDM4EHSD17B10THRB | |
| SCHEMBL2091361 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CYP3A4KDM4EHSD17B10THRB | |
| SCHEMBL1582860 | 0.78 | BCHE (0.47) | ALDH1A1KDM4EHSD17B10THRBTDP1 | |
| SCHEMBL1583341 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP3A4KDM4ETHRBRECQL | |
| SCHEMBL1760671 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CYP3A4KDM4EHSD17B10THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0906758-B1 | Zinc-phthalocyanines and corresponding conjugates, their preparation and use in photodynamic therapy and as diagnostic agents | MOLTENI & C (IT) | 2011-04-20 | — | — | EP | claimed |
| US-5965598-A | PHOTOTHERAPEUTIC AND PHOTODIAGNOSTIC AGENTS AS FREE MOLECULES AND AS CONJUGATES WITH MACROMOLECULAR CARRIER MOLECULES | MOLTENI L. & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) | 1999-10-12 | — | — | US | claimed |
| EP-0906758-A1 | Zinc-phthalocyanines and corresponding conjugates, their preparation and use in photodynamic therapy and as diagnostic agents | MOLTENI L. & C. dei Fratelli Alitti Società di Esercizio S.P.A. (IT) | 1999-04-07 | — | — | EP | claimed |
| EP-0906758-B1 | Zinc-phthalocyanines and corresponding conjugates, their preparation and use in photodynamic therapy and as diagnostic agents | MOLTENI & C (IT) | 2011-04-20 | — | — | EP | disclosed |
| US-5965598-A | PHOTOTHERAPEUTIC AND PHOTODIAGNOSTIC AGENTS AS FREE MOLECULES AND AS CONJUGATES WITH MACROMOLECULAR CARRIER MOLECULES | MOLTENI L. & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) | 1999-10-12 | — | — | US | disclosed |
| EP-0906758-A1 | Zinc-phthalocyanines and corresponding conjugates, their preparation and use in photodynamic therapy and as diagnostic agents | MOLTENI L. & C. dei Fratelli Alitti Società di Esercizio S.P.A. (IT) | 1999-04-07 | — | — | EP | disclosed |