Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | ASPH | Q12797 | 1/20 | 0.37 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16805988 | 0.76 | PDE10A (0.37) | HCRTR1HCRTR2PDE10ALRRK2HDAC3 | |
| SCHEMBL2057011 | 0.76 | KMO (0.52) | KDM4EALDH1A1MAPTHCRTR1HCRTR2 | |
| SCHEMBL981000 | 0.75 | KMT2A (0.50) | KDM4EALDH1A1MAPTKMT2A | |
| SCHEMBL1966662 | 0.75 | BCL2L1 (0.47) | KDM4EALDH1A1MAPTASPHKDM8 | |
| SCHEMBL3351611 | 0.74 | GRIN2B (0.43) | KDM4EPDE10ALRRK2ASPHKDM8 | |
| SCHEMBL24530333 | 0.71 | HDAC3 (0.35) | HCRTR1HCRTR2PDE10ALRRK2HDAC3 | |
| SCHEMBL984761 | 0.71 | MCL1 (0.46) | KDM4EALDH1A1MAPTKMT2A | |
| SCHEMBL21722607 | 0.70 | KDM4E (0.39) | KDM4EALDH1A1MAPTHCRTR1HCRTR2 | |
| SCHEMBL1703788 | 0.70 | DHODH (0.36) | KDM4EALDH1A1SYKKMT2ADHODH | |
| SCHEMBL24526897 | 0.69 | HCAR1 (0.40) | SYKKMT2ALDHAHCAR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | claimed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | claimed |
| CN-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | disclosed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | disclosed |