Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1427580 | 0.86 | KDM4E (0.46) | ALDH1A1POLBHRH3PDE1BKDM4E | |
| SCHEMBL2073777 | 0.85 | SIGMAR1 (0.50) | LMNAPOLBMEN1KMT2ASIGMAR1 | |
| SCHEMBL12449608 | 0.83 | KCNH2 (0.54) | ALDH1A1LMNAPOLBMEN1KMT2A | |
| SCHEMBL30134023 | 0.82 | KDM1A (0.55) | ALDH1A1LMNAKMT2AHRH3PDE1B | |
| SCHEMBL30133993 | 0.81 | DGKZ (0.40) | ALDH1A1HRH3PDE1BGRM2SMN1; SMN2 | |
| SCHEMBL30635464 | 0.76 | PDE1B (0.41) | ALDH1A1PDE1BGRM2 | |
| SCHEMBL11864 | 0.75 | HRH3 (0.71) | ALDH1A1LMNAPOLBMEN1KMT2A | |
| SCHEMBL2556969 | 0.75 | GRM2 (0.42) | ALDH1A1PDE1BKDM4EGRM2SMN1; SMN2 | |
| SCHEMBL16215686 | 0.75 | LMNA (0.53) | ALDH1A1LMNAPOLBMEN1KMT2A | |
| SCHEMBL14787825 | 0.74 | HRH3 (0.69) | ALDH1A1LMNAPOLBMEN1KMT2A |
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-2499146-B1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO SA (CH) | 2016-09-21 | — | — | EP | disclosed |
| EP-2655357-B1 | INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS | MERCK SERONO SA (CH) | 2016-06-22 | — | — | EP | disclosed |
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |