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 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | NSD2 | O96028 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | THRB | P10828 | 2/20 | 0.57 |
| ▸ | RECQL | P46063 | 2/20 | 0.57 |
| ▸ | GALK1 | P51570 | 2/20 | 0.57 |
| ▸ | BLM | P54132 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | TDP2 | O95551 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 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 | |
|---|---|---|---|---|
| SCHEMBL13416100 | 0.98 | KMT2A (0.59) | KMT2AKDM4ENSD2POLBMAPT | |
| Iodide SCHEMBL9354197 | 0.77 | THRB (0.55) | KMT2AKDM4ENSD2POLBMAPT | |
| SCHEMBL11071203 | 0.75 | MAPT (0.42) | KMT2AKDM4ENSD2POLBMAPT | |
| SCHEMBL9288975 | 0.74 | THRB (0.57) | KMT2AKDM4ENSD2POLBMAPT | |
| SCHEMBL2133978 | 0.74 | CYP2A6 (0.43) | KMT2AKDM4ENSD2POLBMAPT | |
| SCHEMBL19122391 | 0.71 | CYP1A2 (0.46) | KMT2AKDM4ENSD2POLBMAPT | |
| SCHEMBL18434530 | 0.71 | KDM4E (0.53) | KMT2AKDM4ENSD2POLBMAPT | |
| SCHEMBL22310963 | 0.70 | TDP1 (0.52) | KMT2AKDM4ENSD2POLBMAPT | |
| SCHEMBL1426045 | 0.69 | THRB (0.56) | KMT2AKDM4ENSD2POLBMAPT | |
| SCHEMBL2495381 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0623614-B1 | 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors | ZENECA LTD (GB) | 1998-02-25 | — | — | EP | disclosed |
| US-5512594-A | ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES | ZENECA LIMITED (GB) | 1996-04-30 | — | — | US | disclosed |
| US-5478842-A | Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes | ZENECA LIMITED (GB) | 1995-12-26 | — | — | US | disclosed |
| WO-1994025453-A1 | 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS | ZENECA LIMITED (GB) | 1994-11-10 | — | — | WO | disclosed |
| EP-0623614-A1 | 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors | ZENECA LIMITED (GB) | 1994-11-09 | — | — | EP | disclosed |