Iodide

Iodide

SCHEMBL7941539

I.O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

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 5)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.74
P2RY2 P41231 15/20 0.67
P2RY4 P51582 11/20 0.67
P2RY6 Q15077 8/20 0.67
POLA1 P09884 1/20 0.64

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL20798009 0.99 DUT (0.75) DUTP2RY2P2RY4P2RY6POLA1
SCHEMBL27554036 0.99 DUT (0.75) DUTP2RY2P2RY4P2RY6POLA1
SCHEMBL8003 0.99 DUT (0.75) DUTP2RY2P2RY4P2RY6POLA1
SCHEMBL12729520 0.99 DUT (0.75) DUTP2RY2P2RY4P2RY6POLA1
SCHEMBL48209 0.99 DUT (0.75) DUTP2RY2P2RY4P2RY6POLA1
SCHEMBL20074354 0.99 DUT (0.75) DUTP2RY2P2RY4P2RY6POLA1
SCHEMBL16633413 0.99 DUT (0.75) DUTP2RY2P2RY4P2RY6POLA1
SCHEMBL2349191 0.99 DUT (0.75) DUTP2RY2P2RY4P2RY6POLA1
Water SCHEMBL3961110 0.98 DUT (0.74) DUTP2RY2P2RY4P2RY6POLA1
Bromide SCHEMBL18112592 0.98 DUT (0.74) DUTP2RY2P2RY4P2RY6POLA1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3230524-B2 2001-11-19 JP claimed
EP-0447442-B1 METHOD FOR POLYMERASE ACTIVITY DETERMINATION KAELLANDER CLAS FREDRIK RUNESS (SE) 1994-09-21 EP claimed
EP-0447442-A1 METHOD FOR POLYMERASE ACTIVITY DETERMINATION. KAELLANDER CLAS FREDRIK RUNESS (SE) 1991-09-25 EP claimed
WO-1990006320-A1 SUBSTRATE FOR POLYMERASE ACTIVITY DETERMINATION KAELLANDER CLAS FREDRIK RUNESS (SE) 1990-06-14 WO claimed
WO-1990006373-A1 METHOD FOR POLYMERASE ACTIVITY DETERMINATION KAELLANDER CLAS FREDRIK RUNESS (SE) 1990-06-14 WO claimed
EP-0447442-B1 METHOD FOR POLYMERASE ACTIVITY DETERMINATION KAELLANDER CLAS FREDRIK RUNESS (SE) 1994-09-21 EP disclosed
EP-0447442-A1 METHOD FOR POLYMERASE ACTIVITY DETERMINATION. KAELLANDER CLAS FREDRIK RUNESS (SE) 1991-09-25 EP disclosed
WO-1990006373-A1 METHOD FOR POLYMERASE ACTIVITY DETERMINATION KAELLANDER CLAS FREDRIK RUNESS (SE) 1990-06-14 WO disclosed
WO-1990006320-A1 SUBSTRATE FOR POLYMERASE ACTIVITY DETERMINATION KAELLANDER CLAS FREDRIK RUNESS (SE) 1990-06-14 WO disclosed
WO-1990006320-A1 SUBSTRATE FOR POLYMERASE ACTIVITY DETERMINATION KAELLANDER CLAS FREDRIK RUNESS (SE) 1990-06-14 WO disclosed