Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | AGER | Q15109 | 1/20 | 0.36 |
| ▸ | GHSR | Q92847 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | FSHR | P23945 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9019800 | 0.91 | BCHE (0.38) | BCHECYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL9019704 | 0.88 | NPR3 (0.40) | BCHECYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL9019796 | 0.86 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL9845246 | 0.84 | BCHE (0.36) | BCHECYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL9019764 | 0.84 | PDE3A (0.38) | CYP3A4CYP2C9CYP2C19CYP2D6PDE3A | |
| SCHEMBL9019779 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL9845278 | 0.82 | SYK (0.31) | CYP3A4CYP2C9CYP2C19CYP2D6TSHR | |
| SCHEMBL9019826 | 0.79 | ALDH1A1 (0.37) | CYP3A4CYP2C9CYP2C19CYP2D6PDE3A | |
| SCHEMBL9019807 | 0.79 | PDE3A (0.32) | CYP3A4CYP2C9CYP2C19CYP2D6PDE3A | |
| SCHEMBL9575434 | 0.77 | CYP1A2 (0.37) | BCHECYP3A4CYP2C9CYP2C19CYP2D6 |
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-0452680-B1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AG (DE) | 1996-11-06 | — | — | EP | disclosed |
| EP-0452680-A1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-23 | — | — | EP | disclosed |