Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA7 | P43166 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.40 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.40 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12126788 | 0.85 | CA12 (0.46) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL3821510 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP4F2CYP4A11CA12CA1 | |
| SCHEMBL1340260 | 0.83 | CA12 (0.44) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL6311143 | 0.79 | CYP4F2 (0.53) | ALDH1A1CYP4F2CYP4A11CA12CA1 | |
| SCHEMBL3436904 | 0.79 | CYP4F2 (0.53) | ALDH1A1CYP4F2CYP4A11CA12CA1 | |
| SCHEMBL31380439 | 0.79 | CYP4F2 (0.53) | ALDH1A1CYP4F2CYP4A11CA12CA1 | |
| SCHEMBL4987083 | 0.78 | CA12 (0.54) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL16685089 | 0.78 | GABRA1 (0.39) | ALDH1A1TSHRMAPK1HSD17B10KDM4E | |
| SCHEMBL11501049 | 0.77 | ALDH1A1 (0.49) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL23925953 | 0.77 | TSHR (0.46) | ALDH1A1CA12CA1CA2CA7 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8288435-B2 | 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-10-16 | — | — | US | disclosed |
| US-8063099-B2 | Trans-3-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-22 | — | — | US | disclosed |
| US-20110124636-A1 | 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-05-26 | — | — | US | disclosed |
| EP-2094690-B1 | 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-04-13 | — | — | EP | disclosed |
| EP-2185512-B1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-12-29 | — | — | EP | disclosed |
| US-20100204285-A1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-08-12 | — | — | US | disclosed |
| EP-2185512-A2 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2010-05-19 | — | — | EP | disclosed |
| 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-2009016560-A2 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-05 | — | — | WO | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100204285-A1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | HCRTR1, HCRTR2, CNR1 | ALDH1A1 747/4885CYP4F2 807/4885CYP4A11 218/4885 |
| US-20110124636-A1 | 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, CNR1 | ALDH1A1 807/4885CYP4F2 1597/4885CYP4A11 434/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.