Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | WNT1 | P04628 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.39 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.39 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.39 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.39 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.39 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.39 |
| ▸ | ULK1 | O75385 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6265321 | 0.82 | HPGD (0.42) | NPC1ALDH1A1MAPTKDM4EWNT1 | |
| SCHEMBL20037446 | 0.79 | ULK1 (0.54) | WNT1GSK3BDYRK1AULK1SCN3A | |
| SCHEMBL6277414 | 0.79 | SMYD3 (0.47) | NPC1ALDH1A1WNT1GSK3BDYRK1A | |
| SCHEMBL8727230 | 0.78 | GSK3B (0.38) | WNT1GSK3BDYRK1ASCN3ASCN9A | |
| SCHEMBL14490487 | 0.78 | HTT (0.53) | HDAC1HDAC6ALDH1A1MAPT | |
| SCHEMBL6204321 | 0.76 | HDAC1 (0.48) | HDAC1HDAC6WNT1GSK3BDYRK1A | |
| SCHEMBL6203532 | 0.76 | HDAC1 (0.48) | HDAC1HDAC6WNT1GSK3BDYRK1A | |
| SCHEMBL6203499 | 0.76 | HDAC1 (0.48) | HDAC1HDAC6WNT1GSK3BDYRK1A | |
| SCHEMBL6371533 | 0.75 | HDAC1 (0.50) | HDAC1HDAC6NPC1ALDH1A1MAPT | |
| SCHEMBL8397188 | 0.74 | CTSC (0.49) | HDAC1NPC1 |
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 |