Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 5/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.35 |
| ▸ | NAT1 | P18440 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3398649 | 0.91 | HDAC1 (0.42) | ENPP2AURKAAKR1C4AKR1C3AKR1C2 | |
| SCHEMBL26508626 | 0.76 | HDAC1 (0.56) | CTSKTRIM24TRIM33HDAC1GRM2 | |
| SCHEMBL16410213 | 0.74 | HDAC1 (0.48) | ENPP2AURKAAKR1C4AKR1C3AKR1C2 | |
| SCHEMBL209838 | 0.71 | GLS (0.52) | HDAC1GRM2BRD4CREBBP | |
| SCHEMBL29952891 | 0.71 | GLS (0.52) | HDAC1GRM2BRD4CREBBP | |
| SCHEMBL6243284 | 0.71 | HDAC1 (0.51) | CTSKHDAC1GRM2BRD4CREBBP | |
| SCHEMBL1362748 | 0.71 | TRIM24 (0.41) | ENPP2AKR1C4AKR1C3AKR1C2PTGER2 | |
| SCHEMBL12053374 | 0.71 | TACR1 (0.41) | ENPP2AURKAPTGER2CTSKHDAC1 | |
| SCHEMBL30751448 | 0.69 | GRM2 (0.43) | HDAC1GRM2BRD4CREBBP | |
| SCHEMBL27375803 | 0.69 | GRM2 (0.43) | HDAC1GRM2BRD4CREBBP |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009100167-A1 | DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100168-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100169-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100170-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100166-A1 | DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |