Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1B | Q01064 | 9/20 | 0.34 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL25362399 | 1.00 | PDE1B (0.34) | PDE1BKAT8NR3C1FPR2ALDH1A1 | |
| SCHEMBL24263263 | 0.86 | HPGDS (0.46) | PDE1BALDH1A1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL24263496 | 0.86 | HPGDS (0.46) | PDE1BALDH1A1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL24263260 | 0.86 | HPGDS (0.46) | PDE1BALDH1A1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL16794653 | 0.85 | CNR2 (0.41) | ALDH1A1POLBTYK2CNR1CNR2 | |
| SCHEMBL16812485 | 0.85 | HPGDS (0.41) | PDE1BKAT8NR3C1ALDH1A1SMN1; SMN2 | |
| SCHEMBL16812491 | 0.84 | YAP1 (0.43) | ALDH1A1SMN1; SMN2POLBCNR1F10 | |
| SCHEMBL16794701 | 0.84 | YAP1 (0.41) | PDE1BALDH1A1POLBTYK2CNR1 | |
| SCHEMBL31161788 | 0.83 | TYK2 (0.37) | PDE1BTYK2CNR1CNR2F10 | |
| SCHEMBL16812488 | 0.83 | TYK2 (0.40) | PDE1BKAT8NR3C1TYK2CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023155900-A1 | FIVE-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND, AND USE THEREOF AS PROTEIN KINASE INHIBITOR | 上海轶诺药业有限公司 | 2023-08-24 | — | — | WO | disclosed |