Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4A | O75164 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 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 | |
|---|---|---|---|---|
| SCHEMBL16446537 | 0.92 | ALDH1A1 (0.43) | PTK2PDE4BALDH1A1YTHDC1HTT | |
| SCHEMBL16446601 | 0.82 | PTK2 (0.43) | PTK2PDE4BALDH1A1YTHDC1HTT | |
| SCHEMBL16446329 | 0.80 | PDE4B (0.54) | PTK2PDE4BALDH1A1YTHDC1HTT | |
| SCHEMBL16446539 | 0.76 | PDE4B (0.40) | PTK2PDE4BALDH1A1HTTFGFR1 | |
| SCHEMBL16446446 | 0.72 | PDE4B (0.50) | PTK2PDE4BALDH1A1HTTFGFR1 | |
| SCHEMBL140644 | 0.70 | CA1 (0.59) | ALDH1A1TDP1MAPT | |
| SCHEMBL16446770 | 0.69 | PDE4B (0.59) | PTK2PDE4BALDH1A1HTTLMNA | |
| SCHEMBL2040977 | 0.69 | CA1 (0.57) | ALDH1A1TDP1MAPT | |
| SCHEMBL17815603 | 0.67 | CFTR (0.56) | ALDH1A1YTHDC1HTTFGFR1CYP11B2 | |
| SCHEMBL6605832 | 0.66 | CA1 (0.54) | ALDH1A1TDP1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3030565-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2016-06-15 | — | — | EP | disclosed |
| WO-2015018534-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2015-02-12 | — | — | WO | disclosed |