Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 3/20 | 0.35 |
| ▸ | DDO | Q99489 | 2/20 | 0.35 |
| ▸ | LCK | P06239 | 5/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL28849121 | 0.74 | ACACB (0.39) | CA12CA1CA9LCKPSMB8 | |
| SCHEMBL19738337 | 0.69 | SYK (0.39) | LCK | |
| SCHEMBL30548896 | 0.67 | HTT (0.43) | CA1THRATHRB | |
| SCHEMBL24296633 | 0.67 | LCK (0.36) | CA12CA1CA9LCKSCN9A | |
| SCHEMBL7412635 | 0.65 | LCK (0.43) | CA12CA1CA9LCK | |
| SCHEMBL21871197 | 0.65 | CA12 (0.46) | CA12CA1CA9LCKPSMB8 | |
| SCHEMBL22621090 | 0.65 | LCK (0.46) | CA12CA1CA9LCKBRD4 | |
| SCHEMBL3216542 | 0.64 | SYK (0.41) | CA1LCKSCN9ACYP17A1 | |
| SCHEMBL29598429 | 0.64 | LMNA (0.43) | CA12CA1CA9LCKBRD4 | |
| SCHEMBL4443611 | 0.64 | LCK (0.41) | CA1LCKSCN9A |
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-115605479-B | Pyridopyrimidine derivatives, preparation method thereof and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2024-05-14 | — | — | CN | disclosed |
| CN-115605479-A | Pyridoneopyrimidine derivative, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |