Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 13/20 | 0.74 |
| ▸ | TMPRSS11D | O60235 | 9/20 | 0.59 |
| ▸ | F10 | P00742 | 2/20 | 0.58 |
| ▸ | PLG | P00747 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7148728 | 1.00 | F2 (0.74) | F2TMPRSS11DF10PLG | |
| SCHEMBL23752316 | 1.00 | F2 (0.74) | F2TMPRSS11DF10PLG | |
| Hydrochloric Acid SCHEMBL7357933 | 0.99 | F2 (0.73) | F2TMPRSS11DF10PLG | |
| Hydrochloric Acid SCHEMBL7147479 | 0.99 | F2 (0.73) | F2TMPRSS11DF10PLG | |
| SCHEMBL23793876 | 0.94 | F2 (0.65) | F2TMPRSS11DF10PLG | |
| SCHEMBL21067756 | 0.91 | DPP4 (0.61) | F2 | |
| SCHEMBL21067758 | 0.91 | DPP4 (0.61) | F2 | |
| SCHEMBL7102905 | 0.91 | F2 (0.61) | F2TMPRSS11D | |
| Acetic Acid SCHEMBL6482237 | 0.90 | F2 (0.76) | F2TMPRSS11DF10PLG | |
| SCHEMBL7460022 | 0.89 | F2 (0.58) | F2TMPRSS11D |
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 |
|---|---|---|---|---|---|---|---|
| US-20140358450-A1 | Method of Binding Site and Binding Energy Determination by Mixed Explicit Solvent Simulations | INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS (ES) | 2014-12-04 | — | — | US | disclosed |
| WO-2013092922-A2 | METHOD OF BINDING SITE AND BINDING ENERGY DETERMINATION BY MIXED EXPLICIT SOLVENT SIMULATIONS | UNIVERSITAT DE BARCELONA (ES) | 2013-06-27 | — | — | WO | disclosed |