Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | EEF2K | O00418 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | FLT4 | P35916 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL18527133 | 0.84 | VCAM1 (0.44) | VCAM1ARPDK1PDK2PDK3 | |
| SCHEMBL105405 | 0.80 | AR (0.42) | VCAM1ARPDK1PDK2PDK3 | |
| SCHEMBL8576534 | 0.78 | KIF11 (0.37) | PNMTCA2EGLN2CYP11B1CYP11B2 | |
| SCHEMBL26620605 | 0.77 | LMNA (0.58) | VCAM1ARPDK1PDK2PDK3 | |
| SCHEMBL27958799 | 0.77 | AR (0.41) | VCAM1ARPDK1PDK2PDK3 | |
| SCHEMBL19771883 | 0.77 | AR (0.41) | VCAM1ARPDK1PDK2PDK3 | |
| SCHEMBL3737426 | 0.77 | PDE2A (0.50) | VCAM1ARPDK1PDK2PDK3 | |
| SCHEMBL26916884 | 0.77 | LMNA (0.58) | VCAM1ARPDK1PDK2PDK3 | |
| SCHEMBL9931300 | 0.76 | MEN1 (0.42) | PNMTMAOAMAOBCA2EGLN2 | |
| SCHEMBL30876218 | 0.75 | GRIN2B (0.39) | PNMTCA2EGLN2 |
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-1998016526-A1 | TETRAHYDRO-6H-PYRAZINO[1,2-B]ISOQUINOLINE 1,4-DIONES AS APOPROTEIN B-100 INHIBITORS | GLAXO GROUP LIMITED (GB) | 1998-04-23 | — | — | WO | disclosed |