Sugi Predict

Sugi Predict / Compounds / Guanfacine

Guanfacine

Guanfacine

SCHEMBL440443

CC(C)(C)COC(N)=O.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2C

The experimentally established mechanism targets of Guanfacine. 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
▸ ADRA2A known ✓ P08913 2/20 0.39
▸ ADRA2B known ✓ P18089 1/20 0.39
▸ ADRA2C known ✓ P18825 1/20 0.39
▸ MAPK1 P28482 2/20 0.46
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ OPRK1 P41145 1/20 0.39

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
Guanfacine SCHEMBL437579 0.99 MAPK1 (0.45) MAPK1KMT2ASMN1; SMN2ADRA2AMEN1
Guanfacine SCHEMBL439673 0.86 KMT2A (0.43) MAPK1KMT2ASMN1; SMN2ADRA2AMEN1
Guanfacine SCHEMBL440266 0.85 MAPK1 (0.44) MAPK1KMT2ASMN1; SMN2ADRA2AMEN1
Guanfacine SCHEMBL440251 0.85 KMT2A (0.43) MAPK1KMT2ASMN1; SMN2ADRA2AMEN1
Guanfacine SCHEMBL437682 0.85 MAPT (0.43) MAPK1KMT2ASMN1; SMN2ADRA2AMEN1
Guanfacine SCHEMBL35094 0.84 KMT2A (0.54) MAPK1KMT2ASMN1; SMN2ADRA2AMEN1
Guanfacine SCHEMBL439689 0.84 KMT2A (0.42) MAPK1KMT2ASMN1; SMN2ADRA2AMEN1
Guanfacine SCHEMBL439200 0.84 MAPK1 (0.44) MAPK1KMT2ASMN1; SMN2ADRA2AMEN1
Guanfacine SCHEMBL440269 0.83 KMT2A (0.41) MAPK1KMT2ASMN1; SMN2ADRA2AMEN1
Guanfacine SCHEMBL1173133 0.83 ADRA2A (0.53) MAPK1KMT2ASMN1; SMN2ADRA2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616434-A1 PRODRUGS OF GUANFACINE Shire LLC (US) 2013-07-24 — — EP claimed
WO-2012035346-A1 PRODRUGS OF GUANFACINE SHIRE, LLC (US) 2012-03-22 — — WO claimed
EP-2616434-A1 PRODRUGS OF GUANFACINE Shire LLC (US) 2013-07-24 — — EP disclosed
WO-2012035346-A1 PRODRUGS OF GUANFACINE SHIRE, LLC (US) 2012-03-22 — — WO disclosed
US-20120065152-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-03-15 — — 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 (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-20120065152-A1 PRODRUGS OF GUANFACINE UGT1A6, GDA, UGT1A3 ADRA2A 172/4885ADRA2B 344/4885ADRA2C 171/4885

“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.