Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.35 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19670388 | 0.90 | CACNA1G (0.46) | CACNA1GCACNA1HCACNA1I | |
| SCHEMBL19670593 | 0.87 | JAK1 (0.38) | HDAC2BRD4PDK1PDK2PDK3 | |
| SCHEMBL19670252 | 0.84 | THRB (0.38) | HDAC2CACNA1GCACNA1HCACNA1IBRD4 | |
| SCHEMBL19670170 | 0.84 | BRAF (0.40) | CACNA1GCACNA1HCACNA1IBRD4PDK1 | |
| SCHEMBL19670392 | 0.84 | GRM5 (0.38) | HDAC2BRD4PDK1PDK2PDK3 | |
| SCHEMBL19670253 | 0.83 | MLLT1 (0.38) | CACNA1HMLNR | |
| SCHEMBL16775983 | 0.83 | HDAC2 (0.39) | HDAC2CACNA1GCACNA1HCACNA1ICSNK1D | |
| SCHEMBL19670241 | 0.83 | GRM5 (0.38) | HDAC2PDK1PDK2PDK3PDK4 | |
| SCHEMBL19670172 | 0.82 | ADORA2A (0.37) | HDAC2PDK1PDK2PDK3PDK4 | |
| SCHEMBL17618482 | 0.82 | HDAC2 (0.39) | HDAC2MCHR1USP30 |
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 |
|---|---|---|---|---|---|---|---|
| US-9834558-B2 | Substituted bridged urea analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-12-05 | — | — | US | disclosed |