Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 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 | |
|---|---|---|---|---|
| SCHEMBL10561791 | 1.00 | KDM4E (0.46) | KDM4ECYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL19773770 | 0.78 | CYP2C19 (0.47) | KDM4ECYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL24693237 | 0.78 | — | — | |
| SCHEMBL8145067 | 0.78 | DRD3 (0.42) | DRD2DRD3 | |
| SCHEMBL10676263 | 0.78 | DRD3 (0.42) | KDM4ECYP2D6DRD2DRD3 | |
| SCHEMBL772205 | 0.77 | — | — | |
| SCHEMBL1640075 | 0.76 | KDM4E (0.53) | KDM4ECYP2C19CYP3A4LMNAL3MBTL1 | |
| SCHEMBL4633471 | 0.76 | KDM4E (0.53) | KDM4ECYP2C19CYP3A4LMNAL3MBTL1 | |
| SCHEMBL10827721 | 0.76 | DRD3 (0.41) | DRD2DRD3 | |
| SCHEMBL4056759 | 0.76 | ALDH1A1 (0.46) | KDM4EDRD2DRD3ALDH1A1HRH3 |
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-2017133657-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |