Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.31 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | BCL2 | P10415 | 1/20 | 0.30 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.30 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6270770 | 0.90 | BCL2 (0.34) | BCL2 | |
| SCHEMBL6209893 | 0.85 | ALDH1A1 (0.32) | GSK3AGSK3BCCNB2CDK1CCNB1 | |
| SCHEMBL2909547 | 0.84 | GSK3B (0.37) | GSK3AGSK3BCCNB2CDK1CCNB1 | |
| Hydrochloric Acid SCHEMBL2911853 | 0.84 | KAT2B (0.37) | GSK3AGSK3BCCNB2CDK1CCNB1 | |
| SCHEMBL2907410 | 0.80 | GSK3B (0.34) | GSK3AGSK3BCDK1KAT2BCYP17A1 | |
| SCHEMBL6209689 | 0.78 | CYP17A1 (0.38) | CYP17A1 | |
| SCHEMBL2905411 | 0.76 | GSK3B (0.35) | GSK3AGSK3BCCNB2CDK1CCNB1 | |
| SCHEMBL8041119 | 0.74 | STK17B (0.46) | SIRT5 | |
| SCHEMBL6265338 | 0.74 | GSK3B (0.48) | GSK3AGSK3BCCNB2CDK1CCNB1 | |
| SCHEMBL2909660 | 0.72 | BCL2 (0.33) | BCL2 |
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-1537099-A1 | PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 | CHIRON CORPORATION (US) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004018455-A1 | PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 | CHIRON CORPORATION (US) | 2004-03-04 | — | — | WO | disclosed |