Guanidine

Guanidine

SCHEMBL7158194

C/C(=C\c1cc(F)cc(F)c1)C(=O)O.Cl.N=C(N)N

nearest known ligand 0.46

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 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
APEX1 P27695 7/20 0.39
TBXAS1 P24557 5/20 0.37
SLC9A1 P19634 1/20 0.34
SLC9A3 P48764 1/20 0.34
SLC9A2 Q9UBY0 1/20 0.34
PRSS1 P07477 1/20 0.33
TMPRSS15 P98073 1/20 0.33
FBP1 P09467 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
SNCA P37840 1/20 0.32

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
Guanidine SCHEMBL7158197 1.00 AKR1C3 (0.46) AKR1C3APEX1TBXAS1SLC9A1SLC9A3
SCHEMBL7133171 0.89 AKR1C3 (0.55) AKR1C3APEX1TBXAS1TUBB1PTGS1
SCHEMBL7133176 0.89 AKR1C3 (0.55) AKR1C3APEX1TBXAS1TUBB1PTGS1
Guanidine SCHEMBL7163058 0.83 AKR1C3 (0.55) AKR1C3TBXAS1FBP1PTGS2
Guanidine SCHEMBL7163063 0.83 AKR1C3 (0.55) AKR1C3TBXAS1FBP1PTGS2
Guanidine SCHEMBL7159629 0.82 AKR1C3 (0.37) AKR1C3APEX1TBXAS1PRSS1TMPRSS15
Guanidine SCHEMBL7159623 0.82 AKR1C3 (0.37) AKR1C3APEX1TBXAS1PRSS1TMPRSS15
SCHEMBL27927621 0.80 SLC9A1 (0.39) AKR1C3APEX1SLC9A1SLC9A3SLC9A2
Hydrochloric Acid SCHEMBL7158195 0.80 TUBB1 (0.33) SLC9A1SLC9A3SLC9A2FBP1TUBB1
Guanidine SCHEMBL8058713 0.80 RPS6KA3 (0.49) AKR1C3TBXAS1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6504057-B2 Anti-arrhythmia, -ischemic, -proliferative and -diabetic agents; cardiotonic, necrosis; angina pectoris; peripheral and central nervous systems; protecting/preserving organs; inhibition of Na+/H+ exchange; diagnosis hypertonia HOECHST AKTIENGESELLSCHAFT (DE) 2003-01-07 US disclosed
US-20020123529-A1 Anti-arrhythmia, -ischemic, -proliferative and -diabetic agents; cardiotonic, necrosis; angina pectoris; peripheral and central nervous systems; protecting/preserving organs; inhibition of Na+/H+ exchange; diagnosis hypertonia HOECHST AKTIENGESELLSCHAFT 2002-09-05 US disclosed
US-20010020042-A1 Cardiovascular disorders HOECHST AKTIENGESELLSCHAFT 2001-09-06 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 (2 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-20020123529-A1 Anti-arrhythmia, -ischemic, -proliferative and -diabetic agents; cardiotonic, necrosis; angina pectoris; peripheral and central nervous systems; protecting/preserving organs; inhibition of Na+/H+ exchange; diagnosis hypertonia TNNI3, SLC5A1, TNNC1 AKR1C3 613/4885APEX1 2554/4885TBXAS1 2556/4885
US-20010020042-A1 Cardiovascular disorders SLC5A1, SLC9A1, SLC28A1 AKR1C3 393/4885APEX1 971/4885TBXAS1 1700/4885

“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.