Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 2/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.40 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5546097 | 0.89 | ADORA2A (0.54) | ADORA2AMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL16612795 | 0.86 | KDM4E (0.43) | ADORA2AKMOMEN1KMT2AKDM4E | |
| SCHEMBL16613030 | 0.86 | KMO (0.42) | ADORA2AKMOKDM4EALDH1A1HSD17B10 | |
| SCHEMBL15189624 | 0.86 | MEN1 (0.46) | ADORA2AKMOIP6K1IP6K3IP6K2 | |
| SCHEMBL16612913 | 0.83 | NOTUM (0.45) | ADORA2A | |
| SCHEMBL15189706 | 0.83 | GSK3B (0.51) | MEN1KMT2AKDM4EALDH1A1CYP1A2 | |
| SCHEMBL16612964 | 0.82 | NOTUM (0.44) | ADORA2AIP6K1KDM4EALDH1A1 | |
| SCHEMBL16612941 | 0.82 | IP6K1 (0.46) | KMOIP6K1IP6K3IP6K2KDM4E | |
| SCHEMBL16612958 | 0.80 | STK17B (0.43) | MEN1KMT2AKDM4EALDH1A1CYP1A2 | |
| SCHEMBL16613036 | 0.79 | MEN1 (0.44) | KMOMEN1KMT2AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | claimed |