Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.61 |
| ▸ | ADORA2B | P29275 | 10/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.55 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.45 |
| ▸ | FBP1 | P09467 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8418894 | 0.84 | ADORA2A (0.66) | ADORA2AADORA1ADORA2BADORA3HPRT1 | |
| SCHEMBL66563 | 0.79 | CYP3A4 (0.73) | ADORA2AADORA1HPRT1CYP3A4FGFR1 | |
| SCHEMBL29437221 | 0.79 | CYP3A4 (0.73) | ADORA2AADORA1HPRT1CYP3A4FGFR1 | |
| SCHEMBL385752 | 0.79 | CYP3A4 (0.73) | ADORA2AADORA1HPRT1CYP3A4FGFR1 | |
| SCHEMBL8910616 | 0.78 | CYP3A4 (0.51) | ADORA2AHPRT1CYP3A4FGFR1SLC22A6 | |
| SCHEMBL9417190 | 0.72 | CYP3A4 (0.55) | ADORA2AADORA1CYP3A4FGFR1SLC22A6 | |
| SCHEMBL9555564 | 0.72 | CYP3A4 (0.55) | ADORA2AADORA1CYP3A4FGFR1SLC22A6 | |
| SCHEMBL10670033 | 0.72 | FGFR1 (0.65) | ADORA2AADORA1ADORA2BCYP3A4FGFR1 | |
| SCHEMBL9555809 | 0.72 | CYP3A4 (0.55) | ADORA2AADORA1CYP3A4FGFR1SLC22A6 | |
| SCHEMBL31060319 | 0.72 | ADORA2A (1.00) | ADORA2AADORA1ADORA2BADORA3FBP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5869467-A | VIRICIDES | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1999-02-09 | — | — | US | disclosed |
| US-5641763-A | N-phosphonylmethoxyalkyl derivatives of pyrimdine and purine bases and a therapeutical composition therefrom with antiviral activity | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-06-24 | — | — | US | disclosed |
| US-5142051-A | Viricides special for mutants of herpes viruses | CESKOSLOVENSKA AKADEMIE VED (CS) | 1992-08-25 | — | — | US | disclosed |