Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | G6PD | P11413 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27007117 | 0.83 | SIGMAR1 (0.48) | SIGMAR1LMNACA1CA2CA4 | |
| SCHEMBL1704762 | 0.83 | MEN1 (0.41) | SIGMAR1LMNA | |
| SCHEMBL4178283 | 0.81 | PTGDR2 (0.49) | SIGMAR1 | |
| SCHEMBL4180931 | 0.81 | PTGDR2 (0.49) | SIGMAR1 | |
| SCHEMBL1713773 | 0.79 | CA1 (0.52) | SIGMAR1CA1CA2CA4CA9 | |
| SCHEMBL14714339 | 0.78 | CA1 (0.65) | SIGMAR1LMNACA1CA2CA4 | |
| SCHEMBL3491620 | 0.78 | CA1 (0.65) | SIGMAR1LMNACA1CA2CA4 | |
| SCHEMBL15279940 | 0.78 | CA1 (0.65) | SIGMAR1LMNACA1CA2CA4 | |
| SCHEMBL1714109 | 0.76 | AGTR2 (0.51) | SIGMAR1CA1CA2CA4CA9 | |
| SCHEMBL1703905 | 0.76 | PDK1 (0.51) | SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2441763-A1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | Glaxo Group Limited (GB) | 2012-04-18 | — | — | EP | disclosed |