Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.36 |
| ▸ | MYC | P01106 | 2/20 | 0.35 |
| ▸ | WDR5 | P61964 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4721096 | 1.00 | P2RX7 (0.41) | P2RX7PHGDHRORCPDE3BPDE3A | |
| SCHEMBL4723162 | 0.92 | PDE3B (0.39) | P2RX7RORCPDE3BPDE3ANOTUM | |
| SCHEMBL4719661 | 0.92 | P2RX7 (0.38) | P2RX7RORCPDE3BPDE3ANOTUM | |
| SCHEMBL4722196 | 0.92 | HSD11B1 (0.39) | P2RX7RORCPDE3BPDE3ANOTUM | |
| SCHEMBL4722191 | 0.92 | HSD11B1 (0.39) | P2RX7RORCPDE3BPDE3ANOTUM | |
| SCHEMBL4719662 | 0.92 | P2RX7 (0.38) | P2RX7RORCPDE3BPDE3ANOTUM | |
| SCHEMBL4723155 | 0.92 | PDE3B (0.39) | P2RX7RORCPDE3BPDE3ANOTUM | |
| SCHEMBL4723772 | 0.92 | RORC (0.42) | P2RX7PHGDHRORCPDE3BPDE3A | |
| SCHEMBL4723777 | 0.92 | RORC (0.42) | P2RX7PHGDHRORCPDE3BPDE3A | |
| SCHEMBL4722888 | 0.92 | HSD11B1 (0.41) | P2RX7RORCPDE3BPDE3AHTT |
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 |