Known targets — ChEMBL curated mechanism
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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PLAU | P00749 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 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 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Guanfacine SCHEMBL437689 | 0.99 | CASP1 (0.46) | CASP1SIGMAR1ALDH1A1SMN1; SMN2AKR1B1 | |
| Guanfacine SCHEMBL442950 | 0.85 | AKR1B1 (0.46) | CASP1SIGMAR1ALDH1A1SMN1; SMN2AKR1B1 | |
| Guanfacine SCHEMBL438188 | 0.84 | AKR1B1 (0.53) | SIGMAR1ALDH1A1SMN1; SMN2AKR1B1KMT2A | |
| Guanfacine SCHEMBL35094 | 0.84 | KMT2A (0.54) | SIGMAR1SMN1; SMN2AKR1B1KMT2AMAPK1 | |
| Guanfacine SCHEMBL439673 | 0.84 | KMT2A (0.43) | ALDH1A1SMN1; SMN2AKR1B1KMT2AMAPK1 | |
| Guanfacine SCHEMBL27931523 | 0.84 | AKR1B1 (0.51) | CASP1SIGMAR1ALDH1A1SMN1; SMN2AKR1B1 | |
| Guanfacine SCHEMBL1173133 | 0.83 | ADRA2A (0.53) | SIGMAR1SMN1; SMN2AKR1B1KMT2AMAPK1 | |
| Guanfacine SCHEMBL41681 | 0.83 | ADRA2A (0.53) | SIGMAR1SMN1; SMN2AKR1B1KMT2AMAPK1 | |
| Guanfacine SCHEMBL789222 | 0.82 | KMT2A (0.43) | SIGMAR1ALDH1A1SMN1; SMN2AKR1B1KMT2A | |
| Guanfacine SCHEMBL440251 | 0.82 | KMT2A (0.43) | ALDH1A1SMN1; SMN2AKR1B1KMT2AMAPK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616434-A1 | PRODRUGS OF GUANFACINE | Shire LLC (US) | 2013-07-24 | — | — | EP | claimed |
| CN-103209958-A | Prodrugs of guanfacine | SHIRE LLC | 2013-07-17 | — | — | CN | 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 |
| CN-103209958-A | Prodrugs of guanfacine | SHIRE LLC | 2013-07-17 | — | — | CN | 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.
| Patent | Title | Text reads most about | Predicted 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.