Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.34 |
| ▸ | AKT1 | P31749 | 3/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | NT5E | P21589 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9936757 | 0.81 | SMN1; SMN2 (0.37) | HDAC1KDM4ECYP3A4 | |
| SCHEMBL9938207 | 0.80 | SMN1; SMN2 (0.34) | HDAC1KMT2ANT5E | |
| SCHEMBL9936656 | 0.78 | SLC29A1 (0.41) | HDAC1P2RX3AKT1PIK3CDPIK3CA | |
| SCHEMBL25391517 | 0.77 | SMN1; SMN2 (0.38) | HDAC1P2RX3PIK3CAKMT2ANT5E | |
| SCHEMBL9935751 | 0.76 | HDAC1 (0.35) | HDAC1HDAC2P2RX3NT5E | |
| SCHEMBL25390708 | 0.75 | HPGD (0.42) | HDAC1P2RX3PIK3CDPIK3CBPIK3CG | |
| SCHEMBL31339118 | 0.74 | PIM1 (0.40) | HDAC1PIK3CAPIK3CBMEN1MAPK1 | |
| SCHEMBL25734588 | 0.74 | PIM1 (0.40) | HDAC1PIK3CAPIK3CBMEN1MAPK1 | |
| SCHEMBL19946533 | 0.74 | HDAC1 (0.38) | HDAC1P2RX3AKT1PIK3CDPIK3CA | |
| SCHEMBL18123334 | 0.74 | POLB (0.38) | HDAC1P2RX3PIK3CDPIK3CAPIK3CB |
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-2651951-A1 | TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012082997-A1 | TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA-ROCHE AG (CH) | 2012-06-21 | — | — | WO | disclosed |