Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA4 | P22748 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 3/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4286425 | 1.00 | CA1 (0.36) | CA1CA2CA4CA9LCK | |
| SCHEMBL4285115 | 0.94 | CA1 (0.35) | CA1CA2CA4CA9LCK | |
| SCHEMBL13705142 | 0.86 | GRIN2B (0.43) | CA1CA2CA4CA9LCK | |
| SCHEMBL13705147 | 0.80 | GRIN2B (0.44) | PARP1 | |
| SCHEMBL4284114 | 0.79 | MCHR1 (0.35) | CA1CA2CA4CA9MCHR1 | |
| SCHEMBL4282685 | 0.78 | PDE10A (0.40) | CA1CA2CA4CA9PARP1 | |
| SCHEMBL4290999 | 0.76 | KMO (0.50) | CA1CA2CA4CA9REN | |
| SCHEMBL4287498 | 0.76 | EGLN3 (0.50) | — | |
| SCHEMBL4290072 | 0.76 | EGLN3 (0.50) | LCK | |
| SCHEMBL4753442 | 0.76 | KMO (0.50) | CA1CA2CA4CA9REN |
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-2008139941-A1 | SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-20 | — | — | WO | disclosed |