Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | TP53 | P04637 | 4/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | P2RX1 | P51575 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GPR27 | Q9NS67 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21623566 | 0.83 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21623558 | 0.83 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21623560 | 0.83 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21626433 | 0.83 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21623334 | 0.82 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21626414 | 0.77 | MAPT (0.53) | MAPTTP53LMNA | |
| SCHEMBL21623137 | 0.76 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21623138 | 0.76 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21623539 | 0.75 | CYP1A2 (0.84) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21623230 | 0.72 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3597637-A1 | INHIBITORS OF HEPATITIS B VIRUS | IRBM S.P.A. (IT) | 2020-01-22 | — | — | EP | disclosed |