Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13086591 | 0.98 | PTGS2 (0.41) | PTGS2MAPTHSP90AA1HTTNPSR1 | |
| SCHEMBL13085764 | 0.92 | PTGS2 (0.38) | PTGS2MAPTHSP90AA1HTTNPSR1 | |
| SCHEMBL13086283 | 0.90 | PTGS2 (0.40) | PTGS2MAPTHSP90AA1HTTNPSR1 | |
| SCHEMBL13086407 | 0.90 | PTGS2 (0.39) | PTGS2MAPTHSP90AA1HTTNPSR1 | |
| SCHEMBL13086251 | 0.88 | PTGS2 (0.41) | PTGS2MAPTHSP90AA1HTTNPSR1 | |
| Hydrochloric Acid SCHEMBL2778516 | 0.85 | PTGS2 (0.57) | PTGS2MAPTHSP90AA1HTTNPSR1 | |
| Hydrochloric Acid SCHEMBL2778513 | 0.85 | PTGS2 (0.57) | PTGS2MAPTHSP90AA1HTTNPSR1 | |
| SCHEMBL13086370 | 0.85 | EPHX2 (0.37) | PTGS2MAPTHSP90AA1HTTNPSR1 | |
| Hydrochloric Acid SCHEMBL2778155 | 0.84 | PTGS2 (0.60) | PTGS2MAPTHSP90AA1HTTNPSR1 | |
| Hydrochloric Acid SCHEMBL2778153 | 0.84 | PTGS2 (0.60) | PTGS2MAPTHSP90AA1HTTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010118968-A1 | NO-DONOR ASPIRIN DERIVATIVES | NICOX S.A. (FR) | 2010-10-21 | — | — | WO | disclosed |