Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL6950568 | 0.87 | ALDH1A1 (0.62) | KDM4EALDH1A1HPGDADRA1AHSD17B10 | |
| SCHEMBL10711559 | 0.87 | KDM4E (0.57) | KDM4EALDH1A1HPGDADRA1AHSD17B10 | |
| SCHEMBL19242423 | 0.85 | KDM4E (0.60) | KDM4EALDH1A1HPGDADRA1AHSD17B10 | |
| SCHEMBL9763803 | 0.83 | KDM4E (0.58) | KDM4EALDH1A1HPGDADRA1AHSD17B10 | |
| SCHEMBL9763808 | 0.83 | KDM4E (0.58) | KDM4EALDH1A1HPGDADRA1AHSD17B10 | |
| SCHEMBL9114553 | 0.83 | KDM4E (0.55) | KDM4EALDH1A1HPGDADRA1AHSD17B10 | |
| SCHEMBL6307469 | 0.82 | KDM4E (0.57) | KDM4EALDH1A1HPGDADRA1AHSD17B10 | |
| 6-Deoxy Penciclovir SCHEMBL29797811 | 0.82 | ALDH1A1 (0.66) | KDM4EALDH1A1HPGDADRA1AHSD17B10 | |
| 6-Deoxy Penciclovir SCHEMBL660970 | 0.82 | ALDH1A1 (0.66) | KDM4EALDH1A1HPGDADRA1AHSD17B10 | |
| 6-Deoxy Penciclovir SCHEMBL3324010 | 0.81 | ALDH1A1 (0.65) | KDM4EALDH1A1HPGDADRA1AHSD17B10 |
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-0182024-A2 | Purine derivatives and their pharmaceutical use | BEECHAM GROUP PLC (GB) | 1986-05-28 | — | — | EP | disclosed |