Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.45 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | MARK3 | P27448 | 1/20 | 0.43 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.43 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30523904 | 1.00 | PARP1 (0.45) | PARP1TNKS2PARP2ACHEPIM1 | |
| SCHEMBL30523906 | 0.85 | MTOR (0.45) | PARP1TNKS2PARP2PIM1MARK3 | |
| SCHEMBL30523907 | 0.85 | MTOR (0.45) | PARP1TNKS2PARP2PIM1MARK3 | |
| SCHEMBL1832431 | 0.77 | PARP1 (0.46) | PARP1TNKS2PARP2ESR2P2RX7 | |
| SCHEMBL22911971 | 0.76 | PIM1 (0.50) | ACHEPIM1MARK3MAP4K2CAMK2B | |
| SCHEMBL29595692 | 0.76 | PIM1 (0.50) | ACHEPIM1MARK3MAP4K2CAMK2B | |
| SCHEMBL28852689 | 0.76 | PIM1 (0.48) | ACHEPIM1MARK3MAP4K2CAMK2B | |
| SCHEMBL25343770 | 0.75 | P2RX7 (0.45) | PARP1TNKS2PARP2ESR2F12 | |
| SCHEMBL31357964 | 0.74 | HTR6 (0.49) | ACHEPIM1MARK3MAP4K2CAMK2B | |
| SCHEMBL1832511 | 0.74 | PARP1 (0.47) | PARP1TNKS2PARP2ESR2F12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116554165-B | Tetrahydropyridopyrimidine derivatives and their use | 四川大学 | 2024-09-17 | — | — | CN | disclosed |
| CN-116554165-A | Tetrahydropyridopyrimidine derivatives and their use | 四川大学 | 2023-08-08 | — | — | CN | disclosed |