Iodide

Iodide

SCHEMBL28827358

O=C(O)c1nccnc1C(=O)O.[Ca+2].[I-].[I-]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
GABRP known ✓ O00591 1/20 0.38
GABRD known ✓ O14764 1/20 0.38
GABRA1 known ✓ P14867 1/20 0.38
GABRB1 known ✓ P18505 1/20 0.38
GABRG2 known ✓ P18507 1/20 0.38
GABRB3 known ✓ P28472 1/20 0.38
GABRA5 known ✓ P31644 1/20 0.38
GABRA3 known ✓ P34903 1/20 0.38
GABRA2 known ✓ P47869 1/20 0.38
GABRB2 known ✓ P47870 1/20 0.38
GABRA4 known ✓ P48169 1/20 0.38
GABRE known ✓ P78334 1/20 0.38
GABRA6 known ✓ Q16445 1/20 0.38
GABRG1 known ✓ Q8N1C3 1/20 0.38
GABRG3 known ✓ Q99928 1/20 0.38
GABRQ known ✓ Q9UN88 1/20 0.38
KDM4E B2RXH2 11/20 0.52
ASPH Q12797 3/20 0.52
KDM8 Q8N371 3/20 0.52
MAPT P10636 6/20 0.50

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
SCHEMBL69939 0.94 KDM4E (0.54) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL28058447 0.91 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL27875395 0.91 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
Hydrochloric Acid SCHEMBL9356773 0.91 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL6345905 0.91 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL29113117 0.91 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
Water SCHEMBL335807 0.91 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
Hydrochloric Acid SCHEMBL9356765 0.91 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
Formic Acid SCHEMBL27879436 0.83 KDM4E (0.46) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL9630721 0.83 KDM4E (0.48) KDM4EASPHKDM8MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114829990-A Method for manufacturing light valve and light valve manufactured by same 吉特比 2022-07-29 CN disclosed