Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 4/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27817797 | 0.90 | NOTUM (0.44) | NOTUMHCRTR2FFAR1BCHEACHE | |
| SCHEMBL15189624 | 0.83 | MEN1 (0.46) | HCRTR2ADORA2AIP6K1KDM4EALDH1A1 | |
| SCHEMBL16612946 | 0.82 | ADORA2A (0.44) | ADORA2AIP6K1KDM4EALDH1A1 | |
| SCHEMBL15189706 | 0.81 | GSK3B (0.51) | NOTUMKDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL5546097 | 0.80 | ADORA2A (0.54) | HCRTR2ADORA2AKDM4EALDH1A1MAPT | |
| SCHEMBL1166732 | 0.80 | ADORA2A (0.49) | NOTUMHCRTR2FYNADORA2ALRRK2 | |
| SCHEMBL16612795 | 0.80 | KDM4E (0.43) | NOTUMHCRTR2FFAR1ADORA2AKDM4E | |
| SCHEMBL16613030 | 0.80 | KMO (0.42) | NOTUMHCRTR2FFAR1ADORA2AKDM4E | |
| SCHEMBL16612913 | 0.78 | NOTUM (0.45) | NOTUMHCRTR2ADORA2A | |
| SCHEMBL17746044 | 0.78 | GSK3B (0.34) | ADORA2AKDM4E |
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-2440555-B1 | FLUORINATED AMINOTRIAZOLE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2016-05-18 | — | — | EP | claimed |
| EP-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | claimed |