Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 9/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL3412456 | 0.89 | HCRTR1 (0.39) | BCAT2HCRTR1HCRTR2PTGS2L3MBTL1 | |
| SCHEMBL1340425 | 0.84 | PTGS1 (0.38) | PTGS1BCAT2HCRTR1HCRTR2PTGS2 | |
| SCHEMBL1339841 | 0.83 | PTGS1 (0.41) | PTGS1PTGS2L3MBTL1PIK3CANPC1 | |
| SCHEMBL3413481 | 0.81 | HCRTR1 (0.41) | BCAT2HCRTR1HCRTR2L3MBTL1ALDH1A1 | |
| SCHEMBL3415826 | 0.80 | HCRTR1 (0.44) | BCAT2HCRTR1HCRTR2ALDH1A1TSHR | |
| SCHEMBL2925286 | 0.80 | HCRTR1 (0.44) | BCAT2HCRTR1HCRTR2ALDH1A1TSHR | |
| SCHEMBL3417316 | 0.79 | CA12 (0.40) | PIK3CA | |
| SCHEMBL3415462 | 0.77 | HCRTR1 (0.40) | HCRTR1HCRTR2PTGS2PIK3CA | |
| SCHEMBL2931970 | 0.76 | GRM2 (0.37) | HCRTR1HCRTR2ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL3412461 | 0.75 | HCRTR1 (0.41) | BCAT2HCRTR1HCRTR2PTGS2L3MBTL1 |
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 |