Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 8/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3412461 | 0.90 | HCRTR1 (0.41) | HCRTR1HCRTR2BCAT2PTGS2ALDH1A1 | |
| SCHEMBL1340422 | 0.84 | PTGS1 (0.40) | PTGS1HCRTR1HCRTR2BCAT2PTGS2 | |
| SCHEMBL1339842 | 0.83 | PTGS1 (0.38) | PTGS1HCRTR1HCRTR2PTGS2HDAC1 | |
| SCHEMBL3413488 | 0.82 | HCRTR1 (0.43) | HCRTR1HCRTR2BCAT2ALDH1A1TSHR | |
| SCHEMBL3417319 | 0.80 | CA12 (0.39) | KMT2A | |
| SCHEMBL3415834 | 0.80 | HCRTR1 (0.46) | HCRTR1HCRTR2TSHRHTR2C | |
| SCHEMBL2925288 | 0.80 | HCRTR1 (0.46) | HCRTR1HCRTR2TSHRHTR2C | |
| SCHEMBL3415467 | 0.77 | HCRTR1 (0.43) | HCRTR1HCRTR2PTGS2 | |
| SCHEMBL2931971 | 0.76 | HCRTR1 (0.36) | HCRTR1HCRTR2HDAC1HDAC2DPP4 | |
| SCHEMBL1340215 | 0.73 | HCRTR2 (0.33) | HCRTR1HCRTR2PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8063099-B2 | Trans-3-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-22 | — | — | US | disclosed |
| EP-2185512-B1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-12-29 | — | — | EP | disclosed |