Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTAFR | P25105 | 18/20 | 0.72 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Brotizolam SCHEMBL29396298 | 0.85 | PTAFR (1.00) | PTAFROPRK1PDE4DGABRA1TSHR | |
| Brotizolam SCHEMBL44067 | 0.85 | PTAFR (1.00) | PTAFROPRK1PDE4DGABRA1TSHR | |
| Triazolam SCHEMBL1824422 | 0.83 | GABRA1 (0.71) | PTAFROPRK1PDE4DGABRA1TSHR | |
| Brotizolam SCHEMBL28319446 | 0.77 | PTAFR (0.76) | PTAFROPRK1PDE4DGABRA1TSHR | |
| SCHEMBL8928433 | 0.75 | PTAFR (0.79) | PTAFROPRK1PDE4DGABRA1TSHR | |
| SCHEMBL11509934 | 0.75 | PTAFR (0.79) | PTAFROPRK1PDE4DGABRA1GABRA5 | |
| Alprazolam SCHEMBL625827 | 0.74 | GABRA1 (0.71) | PTAFROPRK1PDE4DGABRA1TSHR | |
| SCHEMBL9379295 | 0.73 | PTAFR (1.00) | PTAFROPRK1PDE4DGABRA1GABRA5 | |
| Etizolam SCHEMBL42920 | 0.72 | OPRK1 (1.00) | PTAFROPRK1PDE4DCYP3A4ALOX15 | |
| SCHEMBL8928754 | 0.72 | PTAFR (0.73) | PTAFROPRK1PDE4DGABRA1GABRA5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1520244-A4 | SYSTEMS AND METHODS FOR RAPID EVALUATION AND DESIGN OF MOLECULES FOR PREDICTED BIOLOGICAL ACTIVITY | PHARMACOGENETICS DEV COMPANY I (US) | 2006-08-30 | — | — | EP | disclosed |
| EP-1520244-A2 | SYSTEMS AND METHODS FOR RAPID EVALUATION AND DESIGN OF MOLECULES FOR PREDICTED BIOLOGICAL ACTIVITY | Pharmacogenetics Development Company, Inc. (US) | 2005-04-06 | — | — | EP | disclosed |
| WO-2004010243-A2 | SYSTEMS AND METHODS FOR RAPID EVALUATION AND DESIGN OF MOLECULES FOR PREDICTED BIOLOGICAL ACTIVITY | PHARMACOGENETICS DEVELOPMENT COMPANY, INC. (US) | 2004-01-29 | — | — | WO | disclosed |
| US-20040002052-A1 | Systems and methods for rapid evaluation and design of molecules for predicted biological activity | PHARMACOGENETICS DEVELOPMENT COMPANY, INC. | 2004-01-01 | — | — | US | disclosed |