Iodide

Iodide

SCHEMBL9575592

CCCCCCCC/C=C\CCCCCCCCN(CC)C(C)(O)O.I

nearest known ligand 0.42

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
CHRM1 known ✓ P11229 1/20 0.41
EPHX2 P34913 3/20 0.42
FAAH O00519 6/20 0.41
TRPV1 Q8NER1 1/20 0.41
TERT O14746 3/20 0.41
PTPN1 P18031 3/20 0.41
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 2/20 0.41
BLM P54132 2/20 0.41
HSD17B10 Q99714 2/20 0.41
FABP4 P15090 2/20 0.41
KMT2A Q03164 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7760001 0.84 FAAH (0.45) EPHX2FAAHTRPV1TERTPTPN1
SCHEMBL739159 0.81 TERT (0.51) EPHX2FAAHTERTPTPN1PPARG
SCHEMBL10619703 0.79 DNM1 (0.46) HSD17B10KMT2ALMNAMEN1
SCHEMBL739160 0.79 EPHX2 (0.49) EPHX2FAAHTERTPTPN1PPARG
Sulfuric Acid SCHEMBL5183189 0.79 SERPINE1 (0.36) FAAHTP53
Hydrochloric Acid SCHEMBL1685928 0.77 EPHX2 (0.46) EPHX2FAAHTRPV1TERTPTPN1
Hydrochloric Acid SCHEMBL8461412 0.77 DNM1 (0.48) HSD17B10KMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL4893505 0.77 DNM1 (0.48) HSD17B10KMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL5604435 0.77 DNM1 (0.48) HSD17B10KMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL1775317 0.77 DNM1 (0.48) HSD17B10KMT2ALMNAMEN1

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-0371406-B1 OXYALKYLATED QUATERNARY AMMONIUM COMPOUNDS, PROCESSES FOR PRODUCTION THEREOF, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING SAID COMPOUNDS DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1993-08-04 EP disclosed
US-5076828-A Immersing seeds into quaternary solution prior to planting DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1991-12-31 US disclosed