Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.36 |
| ▸ | XDH | P47989 | 3/20 | 0.34 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.34 |
| ▸ | POLA1 | P09884 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28024950 | 0.95 | HRH3 (0.40) | HRH3HRH4XDHPOLA1 | |
| SCHEMBL14195618 | 0.89 | CDK1 (0.37) | HRH3HRH4XDHEPHX1CDK1 | |
| SCHEMBL11066168 | 0.88 | PDK2 (0.35) | HRH3POLA1 | |
| SCHEMBL5062914 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL10995939 | 0.81 | HRH4 (0.40) | HRH3HRH4XDHEPHX1 | |
| SCHEMBL10922689 | 0.81 | HRH4 (0.40) | HRH3HRH4XDHEPHX1 | |
| Hydrochloric Acid SCHEMBL21174542 | 0.80 | KDM4E (0.32) | — | |
| SCHEMBL6948806 | 0.78 | JAK2 (0.32) | — | |
| SCHEMBL7158983 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL17099324 | 0.75 | XDH (0.43) | XDH |
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-2000075158-A2 | NOVEL 6-PHENYLPURINE 9-β-D-RIBONUCLEOSIDES WITH ANTINEOPLASTIC ACTIVITY, THEIR USE FOR PREPARING PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL PREPARATIONS CONTAINING SUCH COMPOUNDS | ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VĚD ČESKÉ REPUBLIKY (CZ) | 2000-12-14 | — | — | WO | disclosed |