Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.33 |
| ▸ | MYC | P01106 | 2/20 | 0.33 |
| ▸ | WDR5 | P61964 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4718912 | 1.00 | P2RX7 (0.36) | P2RX7PDE3BPDE3AMYCWDR5 | |
| SCHEMBL4718914 | 1.00 | P2RX7 (0.36) | P2RX7PDE3BPDE3AMYCWDR5 | |
| SCHEMBL4724274 | 0.91 | ITGB2 (0.35) | P2RX7PDE3BPDE3AMYCWDR5 | |
| SCHEMBL4724276 | 0.91 | ITGB2 (0.35) | P2RX7PDE3BPDE3AMYCWDR5 | |
| SCHEMBL4718895 | 0.90 | CYP3A4 (0.32) | CYP3A4CYP2C9NPSR1 | |
| SCHEMBL4721885 | 0.89 | P2RX7 (0.38) | P2RX7MYCWDR5RORCHSD11B1 | |
| SCHEMBL4721890 | 0.89 | P2RX7 (0.38) | P2RX7MYCWDR5RORCHSD11B1 | |
| SCHEMBL4722940 | 0.88 | P2RX7 (0.40) | P2RX7PDE3BPDE3AMYCWDR5 | |
| SCHEMBL4722935 | 0.88 | P2RX7 (0.40) | P2RX7PDE3BPDE3AMYCWDR5 | |
| SCHEMBL4724293 | 0.86 | F10 (0.38) | P2RX7PDE3BPDE3AF10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |