Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1340388 | 0.87 | HSD17B2 (0.52) | ALDH1A1HSD17B2KDM4ECA12CA1 | |
| SCHEMBL1340035 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL2522639 | 0.78 | KDM4E (0.47) | ALDH1A1HSD17B2KDM4EGAATSHR | |
| SCHEMBL7635736 | 0.78 | KDM4E (0.50) | ALDH1A1HSD17B2KDM4ECA12CA1 | |
| SCHEMBL6580057 | 0.77 | HSD17B2 (0.67) | ALDH1A1HSD17B2KDM4ECA12CA1 | |
| SCHEMBL12126791 | 0.75 | HSD17B2 (0.55) | ALDH1A1HSD17B2KDM4ECA12CA1 | |
| SCHEMBL1748566 | 0.74 | HSD17B2 (0.56) | ALDH1A1HSD17B2KDM4ECA12CA1 | |
| SCHEMBL6580064 | 0.74 | CA12 (0.59) | ALDH1A1HSD17B2KDM4ECA12CA1 | |
| SCHEMBL1340275 | 0.73 | HSD17B2 (0.52) | ALDH1A1HSD17B2KDM4ECA12CA1 | |
| SCHEMBL5152746 | 0.72 | HSD17B2 (0.51) | HSD17B2KDM4ECA12CA1CA2 |
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-2094690-A2 | 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008081399-A2 | 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-07-10 | — | — | WO | disclosed |