Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2909530 | 0.72 | CNR2 (0.40) | CYP17A1FAAHGRM2HDAC3HDAC8 | |
| SCHEMBL5868917 | 0.68 | AAK1 (0.51) | CYP17A1FAAHHDAC1 | |
| SCHEMBL10361607 | 0.68 | CYP17A1 (0.61) | CYP17A1PPARGPPARAFAAHHDAC3 | |
| SCHEMBL23092995 | 0.65 | SMN1; SMN2 (0.43) | CYP17A1PPARGCA1MEN1KMT2A | |
| SCHEMBL30048842 | 0.65 | CA2 (0.59) | CA1CA2NAMPT | |
| SCHEMBL18226965 | 0.65 | CA1 (0.51) | CA1CA2HDAC1NAMPTL3MBTL1 | |
| SCHEMBL5106837 | 0.65 | CYP17A1 (0.57) | CYP17A1PPARGPPARAGLSHDAC3 | |
| SCHEMBL21219242 | 0.64 | AURKA (0.48) | CYP17A1GLSCA1CA2HDAC3 | |
| SCHEMBL12740173 | 0.64 | CYP17A1 (0.60) | CYP17A1FAAHHDAC3HDAC8HDAC1 | |
| SCHEMBL25943313 | 0.64 | CA1 (0.52) | CA1CA2MEN1KMT2ANAMPT |
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 |