Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.69 |
| ▸ | PARP1 | P09874 | 11/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16465704 | 0.86 | HPGD (0.73) | HPGDPARP1ALDH1A1PDPK1CHEK1 | |
| SCHEMBL4231028 | 0.82 | HPGD (0.67) | HPGDPARP1ALDH1A1PDPK1CHEK1 | |
| SCHEMBL9343920 | 0.79 | HPGD (0.62) | HPGDPARP1ALDH1A1PDPK1CHEK1 | |
| SCHEMBL22139827 | 0.69 | HPGD (0.50) | HPGDPARP1ALDH1A1PDPK1CHEK1 | |
| SCHEMBL22699805 | 0.69 | HPGD (0.50) | HPGDPARP1ALDH1A1PDPK1CHEK1 | |
| SCHEMBL6245235 | 0.69 | HPGD (0.50) | HPGDPARP1ALDH1A1PDPK1CHEK1 | |
| SCHEMBL6245031 | 0.68 | HPGD (0.49) | HPGDPARP1ALDH1A1PDPK1CHEK1 | |
| SCHEMBL17773604 | 0.67 | — | — | |
| SCHEMBL9582021 | 0.67 | HPGD (0.47) | HPGDPARP1ALDH1A1PDPK1CHEK1 | |
| SCHEMBL9723032 | 0.67 | HPGD (0.47) | HPGDPARP1ALDH1A1PDPK1CHEK1 |
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-2014058747-A1 | 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-04-17 | — | — | WO | disclosed |