Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD2 | O14939 | 2/20 | 0.51 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.51 |
| ▸ | CCR3 | P51677 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.42 |
| ▸ | ECE2 | P0DPD6 | 1/20 | 0.41 |
| ▸ | CALCRL | Q16602 | 3/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 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 | |
|---|---|---|---|---|
| SCHEMBL29518452 | 0.90 | PLD2 (0.62) | PLD2PLD1TNKSPARP1PARP2 | |
| SCHEMBL22605698 | 0.90 | PLD2 (0.62) | PLD2PLD1TNKSPARP1PARP2 | |
| SCHEMBL22588141 | 0.80 | PLD2 (0.51) | PLD2PLD1CCR3TNKSPARP1 | |
| SCHEMBL22605633 | 0.80 | TNKS (0.56) | PLD2PLD1CCR3TNKSPARP1 | |
| SCHEMBL31285839 | 0.80 | PLD2 (0.51) | PLD2PLD1CCR3TNKSPARP1 | |
| SCHEMBL24368197 | 0.78 | CALCRL (0.53) | PLD2PLD1CCR3CALCRL | |
| SCHEMBL31285905 | 0.78 | PLD2 (0.47) | PLD2PLD1CCR3TNKSPARP1 | |
| SCHEMBL22587878 | 0.78 | PLD2 (0.47) | PLD2PLD1CCR3TNKSPARP1 | |
| SCHEMBL22605756 | 0.78 | CCR3 (0.48) | PLD2PLD1CCR3TNKSPARP1 | |
| SCHEMBL29518303 | 0.78 | CALCRL (0.53) | PLD2PLD1CCR3CALCRL |
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-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 健艾仕生物医药有限公司 | 2020-10-30 | — | — | CN | disclosed |
| WO-2020216378-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2020-10-29 | — | — | WO | disclosed |