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 | 2/20 | 0.43 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
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 SCHEMBL436700 | 0.99 | AKR1B1 (0.45) | AKR1B1KMT2AADRA2AMAPK1MEN1 | |
| Guanfacine SCHEMBL438188 | 0.93 | AKR1B1 (0.53) | AKR1B1KMT2AADRA2AMAPK1MEN1 | |
| Guanfacine SCHEMBL35094 | 0.90 | KMT2A (0.54) | AKR1B1KMT2AADRA2AMAPK1MEN1 | |
| Guanfacine SCHEMBL1173133 | 0.88 | ADRA2A (0.53) | AKR1B1KMT2AADRA2AMAPK1MEN1 | |
| Guanfacine SCHEMBL41681 | 0.88 | ADRA2A (0.53) | AKR1B1KMT2AADRA2AMAPK1MEN1 | |
| Guanfacine SCHEMBL5539292 | 0.84 | KMT2A (0.49) | AKR1B1KMT2AADRA2AMAPK1MEN1 | |
| Guanfacine SCHEMBL439673 | 0.84 | KMT2A (0.43) | AKR1B1KMT2AADRA2AMAPK1MEN1 | |
| Guanfacine SCHEMBL27931523 | 0.84 | AKR1B1 (0.51) | AKR1B1KMT2AADRA2AMAPK1MEN1 | |
| Guanfacine SCHEMBL20897969 | 0.83 | AKR1B1 (0.46) | AKR1B1KMT2AADRA2AMAPK1MEN1 | |
| SCHEMBL20909489 | 0.83 | P2RX7 (0.47) | AKR1B1KMT2AADRA2AMAPK1MEN1 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |