Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 10/20 | 0.33 |
| ▸ | MAOA | P21397 | 9/20 | 0.33 |
| ▸ | KDM1A | O60341 | 8/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL19857328 | 1.00 | BACE1 (0.34) | BACE1MAOBMAOAKDM1ATAAR1 | |
| SCHEMBL17522170 | 0.92 | KDM1A (0.36) | BACE1MAOBMAOAKDM1ATAAR1 | |
| SCHEMBL19857501 | 0.90 | BACE1 (0.35) | BACE1MAOBMAOAKDM1ATAAR1 | |
| SCHEMBL31035756 | 0.86 | BACE1 (0.36) | BACE1MAOBMAOAKDM1ATAAR1 | |
| SCHEMBL30524678 | 0.86 | BACE1 (0.36) | BACE1MAOBMAOAKDM1ATAAR1 | |
| SCHEMBL25520998 | 0.84 | BACE1 (0.36) | BACE1LMNACYP2C19CYP1A2CYP2C9 | |
| SCHEMBL13250486 | 0.84 | BACE1 (0.36) | BACE1LMNACYP2C19CYP1A2CYP2C9 | |
| SCHEMBL19896059 | 0.83 | BACE1 (0.35) | BACE1MAOBMAOAKDM1ATAAR1 | |
| SCHEMBL19896057 | 0.83 | BACE1 (0.35) | BACE1MAOBMAOAKDM1ATAAR1 | |
| SCHEMBL19896060 | 0.83 | BACE1 (0.35) | BACE1MAOBMAOAKDM1ATAAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114394966-B | Pyridopyrimidinone CDK2/4/6 inhibitors | 辉瑞公司 | 2024-10-11 | — | — | CN | disclosed |