Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | AGER | Q15109 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9019831 | 0.84 | BCHE (0.38) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL965011 | 0.83 | ALDH1A1 (0.46) | CYP3A4LMNANFKB1BLMMEN1 | |
| SCHEMBL9019773 | 0.81 | PDE3A (0.39) | CYP3A4LMNANFKB1BLMMEN1 | |
| SCHEMBL8777003 | 0.79 | ALDH1A1 (0.35) | ALDH1A1KMT2APDE3ATSHR | |
| SCHEMBL9019755 | 0.77 | ALDH1A1 (0.32) | CYP3A4LMNANFKB1BLMMEN1 | |
| SCHEMBL9019861 | 0.77 | ALDH1A1 (0.34) | CYP3A4LMNANFKB1BLMMEN1 | |
| SCHEMBL8777001 | 0.75 | PDE3A (0.40) | CYP3A4LMNANFKB1BLMMEN1 | |
| SCHEMBL8777015 | 0.75 | PDE3A (0.40) | CYP3A4LMNANFKB1BLMMEN1 | |
| SCHEMBL9019800 | 0.75 | BCHE (0.38) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14418895 | 0.75 | CYP3A4 (0.48) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 3 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 |
| CN-1054982-A | The purine that replaces, its preparation method and as the purposes of antiviral drug | HOECHST AG (DE) | 1991-10-02 | — | — | CN | disclosed |