Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 6/20 | 0.54 |
| ▸ | PDE3A | Q14432 | 6/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.39 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18796628 | 0.86 | PDE3B (0.74) | PDE3BPDE3AKDM4EGAAHPGD | |
| SCHEMBL18796706 | 0.85 | PDE3B (0.69) | PDE3BPDE3AKDM4EGAAHSD17B10 | |
| SCHEMBL18796660 | 0.79 | PDE3B (0.55) | PDE3BPDE3AKDM4EGAAHPGD | |
| SCHEMBL18796682 | 0.76 | PDE10A (0.51) | PDE3BPDE3ADHODH | |
| SCHEMBL18796695 | 0.76 | PDE3B (0.76) | PDE3BPDE3AKDM4EGAAHPGD | |
| SCHEMBL18796789 | 0.76 | PDE3B (0.61) | PDE3BPDE3AKDM4EGAAHPGD | |
| SCHEMBL18796770 | 0.75 | PDE3B (0.56) | PDE3BPDE3AKDM4EGAAHPGD | |
| SCHEMBL4428820 | 0.74 | KDM4E (0.47) | PDE3BPDE3AKDM4EGAAALDH1A1 | |
| SCHEMBL18796704 | 0.72 | PDE3B (0.53) | PDE3BPDE3AKDM4EGAAHPGD | |
| SCHEMBL27664619 | 0.71 | ALDH1A1 (0.55) | ALDH1A1HMGB1 |
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-2017072796-A1 | 2-PYRIDONE BASED COMPOUNDS USEFUL AS POTENTIAL PHOSPHODIESTERASE3A (PDE3A)INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2017-05-04 | — | — | WO | disclosed |