Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.43 |
| ▸ | PKM | P14618 | 3/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7128610 | 0.97 | KDM4E (0.44) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL7076404 | 0.89 | KDM4E (0.44) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL2923794 | 0.89 | POLQ (0.46) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL7071013 | 0.89 | ALDH1A1 (0.47) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL7160562 | 0.87 | HCRTR1 (0.48) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL269345 | 0.84 | KDM4E (0.52) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL2929470 | 0.83 | ALDH1A1 (0.49) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL12729283 | 0.81 | ADORA2A (0.43) | KDM4ESMN1; SMN2HSD17B10HDAC1HDAC2 | |
| SCHEMBL270516 | 0.79 | HCRTR1 (0.52) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL269910 | 0.79 | KDM4E (0.51) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003051368-A1 | N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2003-06-26 | — | — | WO | disclosed |