Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 2/20 | 0.38 |
| ▸ | PGK2 | P07205 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2950364 | 0.87 | PGK1 (0.39) | PGK1PGK2GSK3BALDH1A1NPC1 | |
| SCHEMBL11673206 | 0.83 | GSK3B (0.38) | GSK3BALDH1A1 | |
| SCHEMBL1257799 | 0.79 | PGK1 (0.39) | PGK1PGK2SMN1; SMN2FABP4ALOX15 | |
| SCHEMBL1257801 | 0.79 | KDM4E (0.44) | PGK1PGK2ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL10863121 | 0.79 | PGK1 (0.39) | PGK1PGK2ALDH1A1FABP4ALOX15 | |
| SCHEMBL7760248 | 0.77 | ALDH1A1 (0.38) | GSK3BALDH1A1NPC1LMNAHPGD | |
| SCHEMBL37165 | 0.77 | KDM4E (0.40) | ALDH1A1LMNAHPGDSMN1; SMN2KDM4E | |
| SCHEMBL37414 | 0.76 | P2RX7 (0.35) | ALDH1A1SMN1; SMN2ALOX15KDM4E | |
| SCHEMBL3420493 | 0.74 | ALDH1A1 (0.37) | PGK1PGK2GSK3BALDH1A1HPGD | |
| SCHEMBL7676785 | 0.74 | HSP90AB1 (0.47) | ALDH1A1NPC1HPGDSMN1; SMN2NPSR1 |
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-0257378-B1 | PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1991-07-03 | — | — | EP | disclosed |
| US-5010060-A | Method of treating herpes simplex viral infection employing pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-04-23 | — | — | US | disclosed |
| US-4851519-A | AMIDO NUCLEOSIDES, VIRICIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-07-25 | — | — | US | disclosed |
| EP-0257378-A1 | Pyrimidine derivatives, their preparation and medicaments containing these derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1988-03-02 | — | — | EP | disclosed |