Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TTK | P33981 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5562287 | 0.80 | KDM4E (0.41) | KDM4EGAAPDPK1CYP3A4ALDH1A1 | |
| SCHEMBL30540792 | 0.78 | RAB9A (0.42) | KDM4EGAAPDPK1CYP3A4ALDH1A1 | |
| SCHEMBL31295238 | 0.74 | DRD2 (0.52) | KDM4EGAAPDPK1CYP3A4HTR2A | |
| SCHEMBL3057752 | 0.70 | KDM4E (0.50) | KDM4EGAAPDPK1CYP3A4ALDH1A1 | |
| SCHEMBL30619334 | 0.70 | KDM4E (0.43) | KDM4EGAAPDPK1CYP3A4ALDH1A1 | |
| SCHEMBL6745979 | 0.70 | KDM4E (0.43) | KDM4EGAAPDPK1CYP3A4ALDH1A1 | |
| SCHEMBL5562284 | 0.68 | KDM4E (0.41) | KDM4EGAAPDPK1CYP3A4ALDH1A1 | |
| SCHEMBL15485748 | 0.67 | KDM4E (0.47) | KDM4EGAAPDPK1CYP3A4ALDH1A1 | |
| SCHEMBL4004747 | 0.67 | RAB9A (0.48) | KDM4EGAAPDPK1CYP3A4ALDH1A1 | |
| SCHEMBL31295104 | 0.67 | CNR2 (0.48) | CYP3A4DRD2CYP1A2CNR2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2890698-A1 | DIOXINO- AND OXAZIN-[2,3-D]PYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2015-07-08 | — | — | EP | disclosed |
| WO-2014033196-A1 | DIOXINO- AND OXAZIN-[2,3-D]PYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2014-03-06 | — | — | WO | disclosed |
| 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 |
| EP-2279188-A1 | PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | Genentech, Inc. (US) | 2011-02-02 | — | — | EP | disclosed |
| EP-2252616-A1 | PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | Genentech, Inc. (US) | 2010-11-24 | — | — | EP | disclosed |
| EP-2207781-A1 | THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE | Genentech, Inc. (US) | 2010-07-21 | — | — | EP | disclosed |
| WO-2009146406-A1 | PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2009-12-03 | — | — | WO | disclosed |
| WO-2009097446-A1 | PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2009-08-06 | — | — | WO | disclosed |
| EP-2046799-A1 | PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Genentech, Inc. (US) | 2009-04-15 | — | — | EP | disclosed |
| WO-2009042607-A1 | THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2009-04-02 | — | — | WO | disclosed |
| WO-2007127183-A1 | PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GENENTECH, INC. (US) | 2007-11-08 | — | — | WO | disclosed |