Iodide

Iodide

SCHEMBL1478375

I.PCCCC(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.35

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 8)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
MAPT P10636 1/20 0.34
EPHX2 P34913 3/20 0.34
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL457160 0.98 SLC22A2 (0.37) SLC22A2SLC47A1MAPTEPHX2NPC1
SCHEMBL3285298 0.90 EPHX2 (0.36) SLC22A2SLC47A1MAPTEPHX2NPC1
SCHEMBL3282755 0.90 EPHX2 (0.36) SLC22A2SLC47A1MAPTEPHX2NPC1
SCHEMBL23111395 0.85 SLC22A2 (0.39) SLC22A2SLC47A1MAPTEPHX2NPC1
SCHEMBL30538966 0.84 EPHX2 (0.44) EPHX2NPC1ALDH1A1MEN1KMT2A
SCHEMBL16908469 0.76 EPHX2 (0.33) EPHX2ALDH1A1
SCHEMBL2927660 0.75 SLC22A2 (0.42) SLC22A2SLC47A1MAPTEPHX2NPC1
SCHEMBL6346242 0.71 SLC22A2 (0.39) SLC22A2SLC47A1MAPTEPHX2NPC1
SCHEMBL9282423 0.71 SLC22A2 (0.39) SLC22A2SLC47A1MAPTEPHX2NPC1
SCHEMBL1324024 0.71

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
US-20090036713-A1 PROCESS FOR THE HYDROGENATION OF IMINES EVONIK DEGUSSA GMBH (DE) 2009-02-05 US claimed
EP-1991520-A1 PROCESS FOR THE HYDROGENATION OF IMINES Evonik Degussa GmbH (DE) 2008-11-19 EP claimed
WO-2007101769-A1 PROCESS FOR THE HYDROGENATION OF IMINES EVONIK DEGUSSA GMBH (DE) 2007-09-13 WO claimed
US-20070213540-A1 Process for the hydrogenation of imines DEGUSSA AG (DE) 2007-09-13 US claimed
US-20110077418-A1 PROCESS FOR THE HYDROGENATION OF IMINES CHEMINOVA A/S (DK) 2011-03-31 US disclosed
WO-2010094164-A1 PROCESS FOR THE HYDROGENATION OF IMINES CHEMINOVA A/S (DK) 2010-08-26 WO disclosed
US-20090036713-A1 PROCESS FOR THE HYDROGENATION OF IMINES EVONIK DEGUSSA GMBH (DE) 2009-02-05 US disclosed
EP-1991520-A1 PROCESS FOR THE HYDROGENATION OF IMINES Evonik Degussa GmbH (DE) 2008-11-19 EP disclosed
WO-2007101769-A1 PROCESS FOR THE HYDROGENATION OF IMINES EVONIK DEGUSSA GMBH (DE) 2007-09-13 WO disclosed
US-20070213540-A1 Process for the hydrogenation of imines DEGUSSA AG (DE) 2007-09-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110077418-A1 PROCESS FOR THE HYDROGENATION OF IMINES INTS9, INTS6, INF2 SLC22A2 3737/4885SLC47A1 3921/4885MAPT 4711/4885
US-20090036713-A1 PROCESS FOR THE HYDROGENATION OF IMINES IPO5, IPO4, HRH3 SLC22A2 2802/4885SLC47A1 3430/4885MAPT 3876/4885
US-20070213540-A1 Process for the hydrogenation of imines KCNH3, KCNH2, KMO SLC22A2 2216/4885SLC47A1 4167/4885MAPT 4063/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.