Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | ITK | Q08881 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | BUB1 | O43683 | 2/20 | 0.33 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | TTK | P33981 | 5/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.30 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.30 |
| ▸ | PTGES | O14684 | 1/20 | 0.30 |
| ▸ | AXL | P30530 | 1/20 | 0.30 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.30 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.30 |
| ▸ | CDK9 | P50750 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22123747 | 1.00 | BRD4 (0.37) | BRD4ITKEGFRACVR1BTGFBR1 | |
| SCHEMBL30385261 | 0.94 | BRD4 (0.39) | BRD4ITKEGFRACVR1BTGFBR1 | |
| SCHEMBL30172091 | 0.93 | ITK (0.39) | BRD4ITKEGFRACVR1BTGFBR1 | |
| SCHEMBL22123788 | 0.92 | BRD4 (0.38) | BRD4ITKEGFRACVR1BTGFBR1 | |
| SCHEMBL22123695 | 0.91 | SYK (0.34) | PTK6TTKSYKAXL | |
| SCHEMBL30183405 | 0.91 | SYK (0.34) | PTK6TTKSYKAXL | |
| SCHEMBL30171675 | 0.90 | BRD4 (0.41) | BRD4ITKEGFRACVR1BTGFBR1 | |
| SCHEMBL30384774 | 0.88 | BRD4 (0.40) | BRD4ITKEGFRACVR1BTGFBR1 | |
| SCHEMBL30385683 | 0.88 | BRD4 (0.39) | BRD4ITKACVR1BTGFBR1ACVRL1 | |
| SCHEMBL22123958 | 0.88 | BRD4 (0.36) | BRD4ITKEGFRACVR1BTGFBR1 |
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-3898631-B1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS | HOFFMANN LA ROCHE (CH) | 2023-01-18 | — | — | EP | disclosed |