Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 6/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | POLA1 | P09884 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CDK16 | Q00536 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953952 | 0.86 | KDM4E (0.37) | PARP1PTGS2TNKS2MAPK14CTSV | |
| SCHEMBL29955797 | 0.85 | KDM4E (0.38) | PARP1PARP2DYRK3TNKSPGR | |
| SCHEMBL15331672 | 0.83 | PARP1 (0.36) | PARP1PTGS2PARP3GCGRMAPK14 | |
| SCHEMBL15331326 | 0.82 | MAPK13 (0.38) | PARP1PARP2DYRK3TNKSPGR | |
| SCHEMBL2559858 | 0.82 | GPR17 (0.35) | PARP1GPR17 | |
| SCHEMBL2559831 | 0.81 | PTGS2 (0.34) | PARP1PGRPTGS2PARP3GPR17 | |
| SCHEMBL29952478 | 0.80 | APOL1 (0.44) | — | |
| SCHEMBL29958306 | 0.78 | ERN1 (0.38) | PARP1CTSVCTSLGPR17 | |
| SCHEMBL2558994 | 0.78 | PTGS2 (0.44) | PTGS2GCGRMAPK14CTSVCTSL | |
| SCHEMBL29957654 | 0.77 | ALDH1A1 (0.39) | TNKS2MAPK14LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |