Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.31 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.31 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22943261 | 0.86 | HDAC1 (0.36) | HDAC1HDAC6DYRK1A | |
| SCHEMBL17658980 | 0.85 | NUDT1 (0.40) | HDAC1HDAC6DYRK1A | |
| SCHEMBL21468722 | 0.77 | DYRK1A (0.37) | HDAC1HDAC6DYRK1A | |
| SCHEMBL20759271 | 0.77 | DYRK1A (0.37) | HDAC1HDAC6SMN1; SMN2L3MBTL1DYRK1A | |
| SCHEMBL20260592 | 0.76 | CFTR (0.35) | HDAC1HDAC6ACACB | |
| SCHEMBL21452646 | 0.76 | DYRK1A (0.36) | HDAC1HDAC6SMN1; SMN2DYRK1AACACB | |
| SCHEMBL22943015 | 0.75 | DYRK1A (0.36) | HDAC1HDAC6DYRK1A | |
| SCHEMBL21452644 | 0.74 | CFTR (0.37) | HDAC1HDAC6 | |
| SCHEMBL20522883 | 0.74 | SCN9A (0.34) | SMN1; SMN2L3MBTL1PTGS1PTGS2SCN9A | |
| SCHEMBL22943016 | 0.73 | DYRK1A (0.33) | HDAC1HDAC6DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106255688-B | Morpholine-pyridine derivate | 豪夫迈·罗氏有限公司 | 2019-11-08 | — | — | CN | disclosed |
| CN-106661043-A | 2-oxa-5-azabicyclo[2.2.1]heptan-3-yl derivatives | 豪夫迈·罗氏有限公司 | 2017-05-10 | — | — | CN | disclosed |