Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.31 |
| ▸ | GABRE | P78334 | 1/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.31 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.31 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.31 |
| ▸ | GABRQ | Q9UN88 | 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 | |
|---|---|---|---|---|
| SCHEMBL15289009 | 0.79 | TKT (0.32) | — | |
| SCHEMBL17502182 | 0.78 | HTT (0.41) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL17315814 | 0.77 | NOS3 (0.39) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL21207982 | 0.75 | NOS3 (0.34) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL5729063 | 0.75 | NOS3 (0.42) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL1460853 | 0.75 | TKT (0.43) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL8214780 | 0.75 | NOS3 (0.34) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL15163966 | 0.74 | HMGCR (0.43) | — | |
| SCHEMBL13556463 | 0.73 | PTGER4 (0.36) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL15153985 | 0.72 | FDPS (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2576576-A1 | HETEROCYCLYL-PYRIDINYL-BASED BIPHOSPHONIC ACID, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF | The Royal Institution for the Advancement of Learning/McGill University (CA) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011147038-A1 | HETEROCYCLYL-PYRIDINYL-BASED BIPHOSPHONIC ACID, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2011-12-01 | — | — | WO | disclosed |