Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 15/20 | 0.55 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18455263 | 0.81 | BTK (0.49) | BTKPARP1 | |
| Hydrochloric Acid SCHEMBL16008156 | 0.73 | BTK (0.43) | BTK | |
| Hydrochloric Acid SCHEMBL16008154 | 0.73 | BTK (0.43) | BTK | |
| SCHEMBL18455257 | 0.71 | BTK (1.00) | BTK | |
| SCHEMBL1620226 | 0.67 | ABCG2 (0.51) | DCPSPDE3BPDE3AALDH1A1TNKS | |
| SCHEMBL19497042 | 0.63 | BTK (0.64) | BTK | |
| SCHEMBL18455658 | 0.63 | BTK (0.74) | BTK | |
| SCHEMBL18455260 | 0.63 | BTK (0.64) | BTK | |
| SCHEMBL30522124 | 0.63 | GAA (0.56) | DCPSALDH1A1GAA | |
| SCHEMBL18526 | 0.63 | GAA (0.56) | DCPSALDH1A1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3235814-A1 | PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES | Takeda Pharmaceutical Company Limited (JP) | 2017-10-25 | — | — | EP | disclosed |
| EP-2970202-B1 | PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES | TAKEDA PHARMACEUTICALS CO (JP) | 2017-02-01 | — | — | EP | disclosed |