Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GGPS1 | O95749 | 15/20 | 0.86 |
| ▸ | FDPS | P14324 | 1/20 | 0.58 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12060539 | 1.00 | GGPS1 (0.86) | GGPS1FDPSENPP2S1PR1S1PR3 | |
| SCHEMBL12060529 | 1.00 | GGPS1 (0.86) | GGPS1FDPSENPP2S1PR1S1PR3 | |
| SCHEMBL12060626 | 0.95 | GGPS1 (0.77) | GGPS1FDPSENPP2 | |
| SCHEMBL14199568 | 0.94 | GGPS1 (0.80) | GGPS1FDPSENPP2S1PR1S1PR3 | |
| SCHEMBL14199586 | 0.94 | GGPS1 (0.80) | GGPS1FDPSENPP2S1PR1S1PR3 | |
| SCHEMBL14199569 | 0.90 | GGPS1 (0.74) | GGPS1FDPSENPP2 | |
| SCHEMBL12257802 | 0.89 | GGPS1 (0.69) | GGPS1FDPS | |
| SCHEMBL12060612 | 0.83 | GGPS1 (0.61) | GGPS1FDPS | |
| SCHEMBL8389645 | 0.82 | GGPS1 (0.64) | GGPS1FDPS | |
| SCHEMBL12257819 | 0.82 | GGPS1 (0.88) | GGPS1FDPS |
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-8012949-B2 | Pyridinium-1-yl, quinolinium-1-yl, and related compounds; parasitic infections, for example against trypanosomes; inhibiting the enzyme farnesyl diphosphate synthase | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2011-09-06 | — | — | US | disclosed |