Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.33 |
| ▸ | FEN1 | P39748 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CFD | P00746 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2925297 | 1.00 | CDK4 (0.36) | CDK4CCND1PDE4BALOX5APFEN1 | |
| SCHEMBL2932481 | 0.88 | GRM2 (0.40) | PDE4BHCRTR1HCRTR2 | |
| SCHEMBL2928983 | 0.88 | GRM2 (0.40) | PDE4BHCRTR1HCRTR2TSHRHTT | |
| SCHEMBL2925490 | 0.88 | PIK3CD (0.37) | PDE4BALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL2925286 | 0.86 | HCRTR1 (0.44) | CDK4CCND1ALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL3415826 | 0.86 | HCRTR1 (0.44) | CDK4CCND1ALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL2927637 | 0.85 | RAB9A (0.39) | PDE4BNPC1RAB9ACFDALDH1A1 | |
| SCHEMBL3415640 | 0.85 | TSHR (0.46) | HCRTR1HCRTR2TSHR | |
| SCHEMBL2930537 | 0.85 | TSHR (0.46) | HCRTR1HCRTR2TSHR | |
| SCHEMBL3415999 | 0.83 | HCRTR2 (0.48) | CDK4CCND1PDE4BALOX5APFEN1 |
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-2185512-B1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-12-29 | — | — | EP | claimed |
| EP-2185512-B1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-12-29 | — | — | EP | disclosed |