Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | TSPO | P30536 | 3/20 | 0.38 |
| ▸ | SLC2A2 | P11168 | 3/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18953130 | 0.91 | SLC2A1 (0.42) | GABRA2GABRB2TSPOSLC2A2NR1I2 | |
| SCHEMBL1691917 | 0.85 | HDAC1 (0.40) | — | |
| SCHEMBL1691730 | 0.84 | GABRA2 (0.48) | GABRA2GABRB2TSPOSLC2A2NR1I2 | |
| Trifluoroacetic Acid SCHEMBL1691916 | 0.78 | CASP3 (0.43) | — | |
| Trifluoroacetic Acid SCHEMBL1691729 | 0.77 | GABRA2 (0.50) | GABRA2GABRB2TSPONR1I2ABCB11 | |
| SCHEMBL1691778 | 0.77 | NPC1 (0.43) | GABRA2GABRB2SLC2A2ALBOPRK1 | |
| SCHEMBL18953106 | 0.76 | CNR1 (0.33) | GABRA2GABRB2SLC2A2KCNH2 | |
| SCHEMBL1691246 | 0.75 | AHR (0.44) | — | |
| SCHEMBL1691850 | 0.74 | DPP4 (0.50) | SLC2A2DPP4 | |
| SCHEMBL1691152 | 0.74 | DPP4 (0.57) | SLC2A2DPP4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3386494-A1 | VAP-1 INHIBITORS FOR TREATING PAIN | Benevolentai Cambridge Limited (GB) | 2018-10-17 | — | — | EP | disclosed |
| WO-2017098236-A1 | VAP-1 INHIBITORS FOR TREATING PAIN | PROXIMAGEN LIMITED (GB) | 2017-06-15 | — | — | WO | disclosed |