Iodide

Iodide

SCHEMBL9053765

Nc1nc(Cc2ccccc2)c(Cc2ccccc2)c2[nH]cnc12.[I-].[Na+]

nearest known ligand 0.43

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 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 6/20 0.41
MPO P05164 1/20 0.41
LTB4R Q15722 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CDK1 P06493 3/20 0.39
PIN1 Q13526 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
LMNA P02545 1/20 0.39
MGMT P16455 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8124628 0.97 PNP (0.43) PNPMPOLTB4RCYP1A2CYP3A4
SCHEMBL8811713 0.77 TLR7 (0.38) PNPMPOCYP1A2CYP3A4CYP2D6
SCHEMBL16486743 0.73 PNP (0.39) PNPCYP1A2CYP3A4CYP2D6MGMT
SCHEMBL16486490 0.72 HRH4 (0.44) PNPMPOCYP1A2CYP3A4MGMT
SCHEMBL8722636 0.71 DHFR (0.42) PNPMPOCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9069730 0.70 PNP (0.55) PNP
SCHEMBL9046769 0.70 LTB4R (0.47) PNPMPOLTB4RCYP1A2CYP3A4
SCHEMBL16486348 0.69 ALDH1A1 (0.57) MPOCYP2D6LMNAPOLBALDH1A1
SCHEMBL217337 0.69 ADORA1 (0.47) PNPLTB4RCYP1A2CYP3A4CYP2D6
SCHEMBL72543 0.69 CDK2 (0.62) MPOCYP1A2CYP3A4CYP2D6CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708772-A1 IMIDAZO [4,5-c]PYRIDIN-4-AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 EP disclosed
WO-1995002597-A1 IMIDAZO[4,5-c]PYRIDIN-4-AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed