Guanidine

Guanidine

SCHEMBL7036081

CCCCC(CC)CO.N=C(N)N

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2

The experimentally established mechanism targets of Guanidine. 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
KCNH2 known ✓ Q12809 1/20 0.36
ALDH1A1 P00352 3/20 0.78
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP3A4 P08684 5/20 0.45
TSHR P16473 4/20 0.45
CA2 P00918 3/20 0.42
CA1 P00915 1/20 0.42
USP2 O75604 3/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
BCL2L1 Q07817 3/20 0.40
BAK1 Q16611 3/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL8420801 0.89
SCHEMBL16324 0.89
SCHEMBL9492501 0.89
SCHEMBL6249719 0.89 ALDH1A1 (1.00) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL7908818 0.86 ALDH1A1 (0.86) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL23087843 0.86 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL9417630 0.86 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL22664580 0.86 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
Butane SCHEMBL21384927 0.86 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL7199575 0.86 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR

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-20030163000-A1 Halogen exchange reactions and catalysts therefor CHORDIP LTD. (GB) 2003-08-28 US disclosed
EP-1288196-A1 Process for the preparation of organo guanidinium salts Chordip Ltd. (GB) 2003-03-05 EP 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 (1 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-20030163000-A1 Halogen exchange reactions and catalysts therefor WEE2, WEE1, SLC39A11 KCNH2 51/4885ALDH1A1 3237/4885LMNA 4671/4885

“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.