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 | 0.36 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
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 SCHEMBL439707 | 0.95 | MAPK1 (0.42) | LMNATSHRKMT2AMAPK1HSD17B10 | |
| Guanfacine SCHEMBL439819 | 0.94 | MAPK1 (0.41) | LMNATSHRKMT2AMAPK1HSD17B10 | |
| Guanfacine SCHEMBL440251 | 0.92 | KMT2A (0.43) | ALDH1A1LMNAKMT2AMAPK1HSD17B10 | |
| Guanfacine SCHEMBL439689 | 0.91 | KMT2A (0.42) | ALDH1A1LMNAKMT2AMAPK1HSD17B10 | |
| Guanfacine SCHEMBL789122 | 0.87 | KMT2A (0.41) | ALDH1A1LMNAKMT2AMAPK1HSD17B10 | |
| Guanfacine SCHEMBL439673 | 0.86 | KMT2A (0.43) | ALDH1A1LMNAKMT2AMAPK1HSD17B10 | |
| Guanfacine SCHEMBL789222 | 0.84 | KMT2A (0.43) | ALDH1A1LMNAKMT2AMAPK1HSD17B10 | |
| Guanfacine SCHEMBL437682 | 0.84 | MAPT (0.43) | ALDH1A1LMNAKMT2AMAPK1HSD17B10 | |
| SCHEMBL405978 | 0.83 | EPHX2 (0.42) | ALDH1A1LMNATSHREPHX2KMT2A | |
| Guanfacine SCHEMBL440269 | 0.80 | KMT2A (0.41) | ALDH1A1LMNATSHRKMT2AMAPK1 |
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 4 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 |
| 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 |