Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.64 |
| ▸ | PDE4A | P27815 | 1/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | GSR | P00390 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CRYZ | Q08257 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Semustine SCHEMBL15569770 | 0.92 | ADRA2A (0.65) | ADRA2APDE4AADRA1ANPSR1KDM4E | |
| Cyclophosphamide Anhydrous SCHEMBL5364682 | 0.84 | NPSR1 (0.61) | ADRA2APDE4AADRA1ANPSR1KDM4E | |
| Lomustine SCHEMBL868328 | 0.80 | ADRA2A (1.00) | ADRA2APDE4AADRA1AKDM4EALDH1A1 | |
| Lomustine SCHEMBL3995 | 0.80 | ADRA2A (1.00) | ADRA2APDE4AADRA1AKDM4EALDH1A1 | |
| Lomustine SCHEMBL28262197 | 0.77 | ADRA2A (0.94) | ADRA2APDE4AADRA1AKDM4EALDH1A1 | |
| Lomustine SCHEMBL28123007 | 0.76 | ADRA2A (0.91) | ADRA2APDE4AADRA1AKDM4EALDH1A1 | |
| Lomustine SCHEMBL28159683 | 0.76 | ADRA2A (0.91) | ADRA2APDE4AADRA1AKDM4EALDH1A1 | |
| Cyclophosphamide Anhydrous SCHEMBL14192809 | 0.76 | NPSR1 (1.00) | NPSR1KDM4EALOX15MAPK1CRYZ | |
| Cyclophosphamide Anhydrous SCHEMBL20542636 | 0.76 | NPSR1 (1.00) | NPSR1KDM4EALOX15MAPK1CRYZ | |
| Cyclophosphamide Anhydrous SCHEMBL1285823 | 0.76 | NPSR1 (1.00) | NPSR1KDM4EALOX15MAPK1CRYZ |
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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3672951-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-07-01 | — | — | EP | disclosed |
| EP-3672952-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-07-01 | — | — | EP | disclosed |
| EP-3668516-A1 | STABLE LYOPHILISATES COMPRISING 5,10-METHYLENE-(6R)-TETRAHYDROFOLIC ACID AND A DICARBOXYLIC ACID | Merck Patent GmbH (DE) | 2020-06-24 | — | — | EP | disclosed |
| EP-3661941-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-06-10 | — | — | EP | disclosed |
| WO-2019038214-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | disclosed |
| WO-2019038215-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | disclosed |
| WO-2019034673-A1 | STABLE LYOPHILISATES COMPRISING 5,10-METHYLENE-(6R)-TETRAHYDROFOLIC ACID AND A DICARBOXYLIC ACID | MERCK PATENT GMBH (DE) | 2019-02-21 | — | — | WO | disclosed |
| WO-2019025099-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-07 | — | — | WO | disclosed |
| EP-2994471-A1 | MACROCYCLES AS KINASE INHIBITORS | Merck Patent GmbH (DE) | 2016-03-16 | — | — | EP | disclosed |
| EP-2976328-A1 | PIPERAZINE DERIVATIVES AS FASN INHIBITORS | Merck Patent GmbH (DE) | 2016-01-27 | — | — | EP | disclosed |
| EP-2352732-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO Ý4, 3-D¨PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | Merck Patent GmbH (DE) | 2011-08-10 | — | — | EP | disclosed |
| EP-2254889-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | Merck Patent GmbH (DE) | 2010-12-01 | — | — | EP | disclosed |
| WO-2010115491-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010112124-A1 | AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2010-10-07 | — | — | WO | disclosed |
| WO-2010080253-A1 | TRICYCLIC AZAINDOLES | MERCK PATENT GMBH (DE) | 2010-07-15 | — | — | WO | disclosed |
| WO-2010078897-A1 | NOVEL POLYMORPHIC FORMS OF 3-(1-{3-[5-(1-METHYL-PIPERIDIN-4YLMETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF | MERCK PATENT GMBH (DE) | 2010-07-15 | — | — | WO | disclosed |
| WO-2010077530-A1 | C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2010-07-08 | — | — | WO | disclosed |
| WO-2010072295-A1 | NOVEL POLYMORPHIC FORMS OF 6-(1-METHYL-1H-PYRAZOL-4-YL)-2-{3-[5-(2-MORPHOLIN-4-YL-ETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-2H-PYRIDAZIN-3-ONE DIHYDROGENPHOSPHATE AND PROCESSES OF MANUFACTURING THEREOF | MERCK PATENT GMBH (DE) | 2010-07-01 | — | — | WO | disclosed |
| WO-2010063352-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GMBH (DE) | 2010-06-10 | — | — | WO | disclosed |
| WO-2009108670-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK SERONO S.A. (CH) | 2009-09-03 | — | — | WO | disclosed |