Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 6/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4479726 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GSK3BGAATRPV1CDK2 | |
| SCHEMBL4477520 | 0.88 | GAA (0.42) | ALDH1A1GSK3BGAAPOLBTDP1 | |
| SCHEMBL4477514 | 0.88 | GAA (0.42) | ALDH1A1GSK3BGAAPOLBTDP1 | |
| SCHEMBL6205786 | 0.86 | ALDH1A1 (0.50) | ALDH1A1GSK3BGAATRPV1POLB | |
| SCHEMBL6205783 | 0.86 | ALDH1A1 (0.50) | ALDH1A1GSK3BGAATRPV1POLB | |
| SCHEMBL4469208 | 0.84 | POLB (0.55) | ALDH1A1GSK3BGAAPOLBTDP1 | |
| SCHEMBL4469219 | 0.84 | POLB (0.55) | ALDH1A1GSK3BGAAPOLBTDP1 | |
| SCHEMBL4479371 | 0.83 | GSK3B (0.50) | ALDH1A1GSK3BTRPV1CDK2POLB | |
| SCHEMBL4479595 | 0.80 | PTGS2 (0.50) | ALDH1A1GSK3BPOLBTDP1 | |
| SCHEMBL4479600 | 0.80 | PTGS2 (0.50) | ALDH1A1GSK3BPOLBTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7582630-B2 | Pyradazine compounds as GSK-3 inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 2009-09-01 | — | — | US | disclosed |
| EP-1551842-A1 | PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004035588-A1 | PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-04-29 | — | — | WO | disclosed |