Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 6/20 | 0.40 |
| ▸ | RXRA | P19793 | 2/20 | 0.40 |
| ▸ | RXRB | P28702 | 2/20 | 0.40 |
| ▸ | RXRG | P48443 | 2/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22307810 | 0.84 | CTSS (0.46) | S1PR1CTSSPDE3BPDE3A | |
| SCHEMBL22309158 | 0.83 | PDE3B (0.56) | S1PR1CTSSS1PR4S1PR5RXRA | |
| SCHEMBL22307799 | 0.83 | PDE3B (0.55) | S1PR1CTSSPDE3BPDE3A | |
| SCHEMBL22308858 | 0.82 | PDE3B (0.45) | S1PR1CTSSMRGPRX4PDE3BPDE3A | |
| SCHEMBL22308346 | 0.82 | PDE3B (0.40) | S1PR1CTSSRXRARXRBRXRG | |
| SCHEMBL22309141 | 0.82 | HPGD (0.46) | CTSSPDE3BPDE3ASYKHTR2C | |
| SCHEMBL22307812 | 0.82 | PDE3B (0.50) | S1PR1CTSSS1PR4S1PR5RXRA | |
| SCHEMBL22309142 | 0.82 | XDH (0.49) | PDE3BPDE3A | |
| SCHEMBL22309148 | 0.81 | AAK1 (0.44) | PDE3BPDE3A | |
| SCHEMBL22308819 | 0.80 | PDE3B (0.47) | RXRARXRBRXRGPDE3BPDE3A |
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-2020157189-A1 | 1,2,4-TRIAZIN-6(1H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-06 | — | — | WO | disclosed |