Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 9/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 7/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 7/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.40 |
| ▸ | AADAT | Q8N5Z0 | 5/20 | 0.39 |
| ▸ | PI4KA | P42356 | 7/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 7/20 | 0.37 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.37 |
| ▸ | GUCY1A2 | P33402 | 1/20 | 0.37 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.37 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PIP5K1C | O60331 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10044671 | 1.00 | PIK3CA (0.41) | PIK3CAPIK3CDPIK3CGPIK3CBAADAT | |
| SCHEMBL10044695 | 0.88 | PIK3CA (0.43) | PIK3CAPIK3CDPIK3CGPIK3CBCYP3A4 | |
| SCHEMBL10044738 | 0.87 | DYRK2 (0.40) | AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1 | |
| SCHEMBL10044809 | 0.86 | GUCY1B2 (0.40) | AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1 | |
| SCHEMBL10044645 | 0.86 | PIK3CA (0.42) | PIK3CAPIK3CDPIK3CGPIK3CBAADAT | |
| SCHEMBL10044690 | 0.83 | GSK3B (0.41) | AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1 | |
| SCHEMBL13305968 | 0.82 | GUCY1B2 (0.40) | AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1 | |
| SCHEMBL10044600 | 0.82 | GUCY1B2 (0.40) | AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1 | |
| SCHEMBL10044608 | 0.82 | GUCY1B2 (0.40) | AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1 | |
| SCHEMBL10044674 | 0.81 | GUCY1B2 (0.42) | AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008116139-A2 | N-HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-09-25 | — | — | WO | disclosed |