Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 3/20 | 0.41 |
| ▸ | MET | P08581 | 2/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.38 |
| ▸ | PAK4 | O96013 | 2/20 | 0.37 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.37 |
| ▸ | INSR | P06213 | 1/20 | 0.37 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 3/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 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 | |
|---|---|---|---|---|
| SCHEMBL19867182 | 0.81 | ALK (0.46) | ALKADORA2AADORA1PDE4BPDE7A | |
| SCHEMBL24073814 | 0.77 | BRAF (0.36) | ALKBRAFTNNI3KADORA2AADORA1 | |
| SCHEMBL29709931 | 0.75 | ALK (0.57) | ALKMETEGFRPTK2INSR | |
| SCHEMBL22518895 | 0.75 | ALK (0.57) | ALKMETEGFRPTK2INSR | |
| SCHEMBL19867253 | 0.75 | HTT (0.45) | ADORA2AADORA1PDE4BPDE7APAK4 | |
| SCHEMBL29549332 | 0.74 | ADORA2A (0.43) | ADORA2AADORA1EGFRPDE4BPDE7A | |
| SCHEMBL22828480 | 0.74 | ADORA2A (0.43) | ADORA2AADORA1EGFRPDE4BPDE7A | |
| SCHEMBL25056236 | 0.74 | ALK (0.46) | ALKMETEGFRPTK2INSR | |
| SCHEMBL600958 | 0.74 | GLO1 (0.47) | ALKMETEGFRPTK2INSR | |
| SCHEMBL30950683 | 0.73 | PIM1 (0.42) | ADORA2AADORA1EGFRPDE4BPAK4 |
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-3988542-A1 | PYRIMIDINE DERIVATIVE INHIBITING GROWTH OF CANCER CELL AND MEDICINAL USE THEREOF | Oncobix Co.Ltd. (KR) | 2022-04-27 | — | — | EP | disclosed |