Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 6/20 | 0.42 |
| ▸ | BCR | P11274 | 6/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5689313 | 0.85 | ALOX5 (0.58) | CYP3A4MAPK1CYP1A2ABL1BCR | |
| SCHEMBL5689322 | 0.85 | ALOX5 (0.58) | CYP3A4MAPK1CYP1A2ABL1BCR | |
| SCHEMBL5689317 | 0.85 | ALOX5 (0.58) | CYP3A4MAPK1CYP1A2ABL1BCR | |
| SCHEMBL10044955 | 0.81 | CYP3A4 (0.42) | CYP3A4MAOAMAPK1CYP1A2CYP2D6 | |
| SCHEMBL4984623 | 0.81 | MAOA (0.42) | CYP3A4MAOAMAPK1CYP1A2CYP2D6 | |
| SCHEMBL119906 | 0.81 | CYP3A4 (0.47) | CYP3A4MAOAMAPK1CYP1A2CYP2D6 | |
| SCHEMBL19783319 | 0.79 | CYP1A2 (0.41) | CYP3A4MAOAMAPK1CYP1A2CYP2D6 | |
| SCHEMBL4295622 | 0.79 | MAOA (0.48) | CYP3A4MAOAMAPK1CYP1A2CYP2D6 | |
| SCHEMBL7483039 | 0.79 | MKNK2 (0.43) | CYP1A2CYP2A6CYP1A1CYP1B1ALOX5 | |
| SCHEMBL9097330 | 0.78 | CDC25B (0.48) | CYP3A4MAOAMAPK1CYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114761410-B | Pyrrolopyrimidinone compounds and application thereof | 广州必贝特医药股份有限公司 | 2023-08-25 | — | — | CN | disclosed |
| WO-2022213932-A1 | PYRROLOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF | 广州必贝特医药股份有限公司 | 2022-10-13 | — | — | WO | disclosed |
| CN-114761410-A | Pyrrolopyrimidinone compounds and application thereof | 广州必贝特医药股份有限公司 | 2022-07-15 | — | — | CN | disclosed |