Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 4/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 10/20 | 0.43 |
| ▸ | PIK3R1 | P27986 | 9/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | MARK3 | P27448 | 1/20 | 0.40 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.40 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30523906 | 1.00 | MTOR (0.45) | MTORPIK3CAPIK3R1RAF1BRAF | |
| SCHEMBL30523904 | 0.85 | PARP1 (0.45) | MTORPARP1TNKS2PARP2MAPT | |
| SCHEMBL30523903 | 0.85 | PARP1 (0.45) | MTORPARP1TNKS2PARP2MAPT | |
| SCHEMBL30339414 | 0.76 | PIK3CA (0.50) | MTORPIK3CAPIK3R1PIK3CDPIK3CB | |
| SCHEMBL24074637 | 0.76 | PIK3CA (0.50) | MTORPIK3CAPIK3R1PIK3CDPIK3CB | |
| SCHEMBL31231533 | 0.73 | PRKCB (0.49) | MTORPIK3CAPIK3R1BRAFPIK3CD | |
| SCHEMBL31357964 | 0.72 | HTR6 (0.49) | BRD4CREBBPPIM1MARK3MAP4K2 | |
| SCHEMBL31231520 | 0.71 | CREBBP (0.56) | PIK3CAPIK3CDMAPTBRD4CREBBP | |
| SCHEMBL31086781 | 0.70 | MTOR (0.45) | MTORPIK3CAPIK3R1RAF1BRAF | |
| SCHEMBL27029449 | 0.69 | ACHE (0.54) | MAPTBRD4CREBBPPIM1MARK3 |
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 |