Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | WNT1 | P04628 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6204321 | 1.00 | HDAC1 (0.48) | HDAC1HDAC6WNT1GSK3BDYRK1A | |
| SCHEMBL6203532 | 1.00 | HDAC1 (0.48) | HDAC1HDAC6WNT1GSK3BDYRK1A | |
| SCHEMBL6371533 | 0.92 | HDAC1 (0.50) | HDAC1HDAC6 | |
| SCHEMBL6204294 | 0.82 | ALDH1A1 (0.51) | HDAC1HDAC6 | |
| SCHEMBL3879671 | 0.79 | NPC1 (0.47) | — | |
| SCHEMBL6203700 | 0.79 | KDM4E (0.45) | — | |
| SCHEMBL6204513 | 0.79 | SMYD3 (0.46) | WNT1GSK3BDYRK1A | |
| SCHEMBL6204397 | 0.79 | SMYD3 (0.46) | WNT1GSK3BDYRK1A | |
| SCHEMBL1996065 | 0.76 | — | — | |
| SCHEMBL1996068 | 0.76 | — | — |
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-1494672-A1 | AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY | Abbott Laboratories (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003086398-A1 | AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY | ABBOTT LABORATORIES (US) | 2003-10-23 | — | — | WO | disclosed |