Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 8/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | KDM4A | O75164 | 1/20 | 0.31 |
| ▸ | KDM4B | O94953 | 1/20 | 0.31 |
| ▸ | KDM5C | P41229 | 1/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8407756 | 0.77 | CYP1A2 (0.41) | ALDH1A1PARP1HPGDPDPK1KDM4A | |
| SCHEMBL18284372 | 0.71 | CYP1A2 (0.37) | ALDH1A1PARP1SMN1; SMN2PDPK1ALOX15 | |
| SCHEMBL22139858 | 0.71 | HPGD (0.44) | ALDH1A1PARP1HPGDSMN1; SMN2PDPK1 | |
| SCHEMBL22139820 | 0.69 | HPGD (0.40) | ALDH1A1PARP1HPGDSMN1; SMN2PDPK1 | |
| SCHEMBL22120026 | 0.68 | HPGD (0.42) | ALDH1A1PARP1HPGDSMN1; SMN2PDPK1 | |
| SCHEMBL22139827 | 0.68 | HPGD (0.50) | ALDH1A1PARP1HPGDSMN1; SMN2PDPK1 | |
| SCHEMBL22699805 | 0.68 | HPGD (0.50) | ALDH1A1PARP1HPGDSMN1; SMN2PDPK1 | |
| SCHEMBL22775923 | 0.66 | — | — | |
| SCHEMBL22139939 | 0.66 | HPGD (0.40) | ALDH1A1PARP1HPGDSMN1; SMN2PDPK1 | |
| SCHEMBL25423828 | 0.64 | IP6K1 (0.47) | ALDH1A1PARP1SMN1; SMN2PDPK1CA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3898595-A1 | PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS | Merck Sharp & Dohme Corp. (US) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020131597-A1 | PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS | MERCK SHARP & DOHME CORP. (US) | 2020-06-25 | — | — | WO | disclosed |