Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.31 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19840791 | 0.94 | CXCR4 (0.40) | CXCL12CXCR4 | |
| SCHEMBL19840713 | 0.82 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C19LMNAHRH4 | |
| SCHEMBL19840887 | 0.82 | CHRM2 (0.46) | CYP1A2CYP2D6CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL19840869 | 0.81 | ANPEP (0.35) | CYP1A2CYP2D6CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL19840866 | 0.81 | ANPEP (0.35) | CYP1A2CYP2D6CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL19841116 | 0.81 | MEN1 (0.41) | CYP1A2CYP2D6CYP2C19LMNAHRH4 | |
| SCHEMBL19840787 | 0.81 | MEN1 (0.47) | SMN1; SMN2 | |
| SCHEMBL19840793 | 0.80 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL19840804 | 0.79 | MAPK1 (0.50) | SMN1; SMN2LMNA | |
| SCHEMBL19841003 | 0.79 | SMN1; SMN2 (0.44) | CYP1A2CYP2D6SMN1; SMN2LMNAHRH4 |
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-9884832-B2 | Inhibitors targeting drug-resistant influenza A | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-02-06 | — | — | US | disclosed |