Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL27745777 | 0.78 | GRM2 (0.37) | TP53GRM2NPC1RAB9AKDM4E | |
| SCHEMBL18070761 | 0.78 | GRM2 (0.51) | TP53GRM2NPC1RAB9AKDM4E | |
| SCHEMBL4554503 | 0.77 | TDP1 (0.44) | NPC1RAB9AKDM4ENOS1 | |
| SCHEMBL23320971 | 0.76 | KDM4E (0.50) | TP53KDM4E | |
| SCHEMBL20608120 | 0.75 | TDO2 (0.40) | TP53GRM2NPC1RAB9AKDM4E | |
| SCHEMBL29561346 | 0.75 | TDO2 (0.40) | TP53GRM2NPC1RAB9AKDM4E | |
| SCHEMBL1169734 | 0.75 | RECQL (0.60) | GRM2RECQLPKM | |
| SCHEMBL29527486 | 0.74 | GRM2 (0.55) | GRM2NPC1RAB9AKDM4E | |
| SCHEMBL24134933 | 0.74 | SLC9A1 (0.44) | TP53GRM2KDM4ERECQL | |
| SCHEMBL18311614 | 0.73 | GRM2 (0.56) | GRM2KDM4E |
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 18 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 |
| EP-2041139-A2 | PHARMACEUTICAL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2009-04-01 | — | — | EP | disclosed |
| EP-2035431-A1 | PHARMACEUTICAL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-18 | — | — | EP | disclosed |
| EP-2024372-A2 | THIENO [3,2-D] PYRIMIDINE DERIVATIVE USEFUL AS PI3K INHIBITOR | F.HOFFMANN-LA ROCHE AG (CH) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007132171-A1 | PHARMACEUTICAL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-11-22 | — | — | WO | disclosed |
| WO-2007129161-A2 | THIENO [3, 2-D] PYRIMIDINE DERIVATIVE USEFUL AS PI3K INHIBITOR | F. HOFFMANN-LA ROCHE AG (US) | 2007-11-15 | — | — | WO | disclosed |
| WO-2007127183-A1 | PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GENENTECH, INC. (US) | 2007-11-08 | — | — | WO | disclosed |
| WO-2007127175-A2 | PHARMACEUTICAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-11-08 | — | — | WO | disclosed |