Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL405981 | 0.88 | MAPK1 (0.44) | AKR1B1SMN1; SMN2ALDH1A1KMT2AMAPK1 | |
| Etiguanfacine SCHEMBL406264 | 0.85 | ALDH1A1 (0.48) | AKR1B1SMN1; SMN2ALDH1A1KMT2AMAPK1 | |
| SCHEMBL405872 | 0.85 | CASP1 (0.50) | AKR1B1SMN1; SMN2ALDH1A1KMT2AMAPK1 | |
| SCHEMBL406863 | 0.84 | KMT2A (0.43) | AKR1B1SMN1; SMN2ALDH1A1KMT2AMAPK1 | |
| SCHEMBL406227 | 0.84 | KMT2A (0.43) | AKR1B1SMN1; SMN2ALDH1A1KMT2AMAPK1 | |
| Etiguanfacine SCHEMBL440827 | 0.84 | ALDH1A1 (0.47) | AKR1B1SMN1; SMN2ALDH1A1KMT2AMAPK1 | |
| Hydrochloric Acid SCHEMBL442864 | 0.83 | KMT2A (0.43) | AKR1B1SMN1; SMN2ALDH1A1KMT2AMAPK1 | |
| SCHEMBL406853 | 0.82 | KMT2A (0.42) | AKR1B1SMN1; SMN2ALDH1A1KMT2AMAPK1 | |
| SCHEMBL406226 | 0.82 | MAPK1 (0.46) | AKR1B1SMN1; SMN2ALDH1A1KMT2AMAPK1 | |
| SCHEMBL405969 | 0.82 | KMT2A (0.42) | AKR1B1SMN1; SMN2ALDH1A1KMT2AMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012035346-A1 | PRODRUGS OF GUANFACINE | SHIRE, LLC (US) | 2012-03-22 | — | — | WO | disclosed |