Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK6 | Q13882 | 6/20 | 0.40 |
| ▸ | CNR2 | P34972 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TTK | P33981 | 5/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | LCK | P06239 | 3/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.33 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL22142803 | 0.90 | PTK6 (0.41) | PTK6CNR2NPC1RAB9ATTK | |
| SCHEMBL22154766 | 0.82 | PTK6 (0.41) | PTK6CNR2NPC1RAB9ATTK | |
| SCHEMBL24910595 | 0.81 | PTK6 (0.41) | PTK6CNR2NPC1RAB9ATTK | |
| SCHEMBL22122927 | 0.81 | TTK (0.45) | PTK6CNR2NPC1RAB9ATTK | |
| SCHEMBL30172049 | 0.81 | PTK6 (0.42) | PTK6CNR2NPC1RAB9ATTK | |
| SCHEMBL22154151 | 0.81 | PTK6 (0.42) | PTK6CNR2NPC1RAB9ATTK | |
| SCHEMBL22123879 | 0.81 | PTK6 (0.48) | PTK6CNR2TTKLCKAURKB | |
| SCHEMBL22123835 | 0.80 | PTK6 (0.42) | PTK6CNR2NPC1RAB9ATTK | |
| SCHEMBL24911025 | 0.80 | PTK6 (0.47) | PTK6CNR2TTKLCKAURKB | |
| SCHEMBL22139114 | 0.79 | PTK6 (0.48) | PTK6CNR2TTKLCKAURKB |
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-2020126952-A1 | IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2020-06-25 | — | — | WO | disclosed |