Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4432008 | 0.84 | CDK2 (0.40) | CDK2KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL31080635 | 0.79 | CDK2 (0.36) | CDK2 | |
| SCHEMBL3272808 | 0.77 | IDH1 (0.35) | CDK2KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL25259907 | 0.76 | CDK2 (0.40) | CDK2KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL20780129 | 0.75 | MCHR1 (0.35) | CDK2 | |
| SCHEMBL3268357 | 0.74 | NUDT1 (0.43) | CDK2ALDH1A1HTR2AHTR2C | |
| SCHEMBL31080147 | 0.74 | NUDT1 (0.43) | CDK2ALDH1A1HTR2AHTR2C | |
| SCHEMBL29086453 | 0.73 | CDK2 (0.38) | CDK2 | |
| SCHEMBL1475109 | 0.73 | — | — | |
| SCHEMBL31402416 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2211620-B1 | 3-PYRAZIN SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AS JANUS KINASE INHIBITORS FOR THE TREATMENT OF CANCER DISEASES | MERCK SHARP & DOHME (US) | 2013-12-25 | — | — | EP | disclosed |
| EP-2211620-A1 | THERAPEUTIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009054941-A1 | THERAPEUTIC COMPOUNDS | MERCK & CO., INC. (US) | 2009-04-30 | — | — | WO | disclosed |