Iodide

Iodide

SCHEMBL9075313

Cc1c(C)c2c(c(C)c1O)CCC(C)(CCOCCC1(C)CCc3c(C)c(O)c(C)c(C)c3O1)O2.I

nearest known ligand 0.59

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
MAPT P10636 3/20 0.59
LMNA P02545 3/20 0.59
USP2 O75604 2/20 0.59
CYP2C9 P11712 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
GSTP1 P09211 1/20 0.59
TTPA P49638 1/20 0.59
THRB P10828 1/20 0.59
CYP2C19 P33261 1/20 0.59
NR1I2 O75469 2/20 0.58
ALOX5 P09917 5/20 0.54
CYP4F2 P78329 1/20 0.52
CYP3A4 P08684 2/20 0.51
TSHR P16473 2/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
CYP1A2 P05177 1/20 0.51
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL1521181 0.88 MAPT (0.58) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL10643062 0.85 MAPT (0.56) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL10641198 0.85 MAPT (0.56) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL10641411 0.84 ALOX5 (0.57) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL10641397 0.84 ALOX5 (0.57) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL10641508 0.84 ALOX5 (0.57) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL23867134 0.84 MAPT (0.63) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL8935467 0.84 NR1I2 (0.65) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL4271100 0.84 NR1I2 (0.65) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL8935461 0.84 NR1I2 (0.65) MAPTLMNAUSP2CYP2C9KMT2A

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
US-5508450-A INHIBITORY EFFECT ON MAILLARD REACTION AND ANTIOXIDIZING EFFECT; TREATS OR PREVENTS DIABETIC COMPLICATIONS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5384414-A Compounds with guanidine groups ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-24 US disclosed