Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 8/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | SSTR1 | P30872 | 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 | |
|---|---|---|---|---|
| SCHEMBL496230 | 0.82 | MAPT (0.43) | — | |
| SCHEMBL2445362 | 0.82 | MAPT (0.43) | — | |
| SCHEMBL3668373 | 0.80 | ROCK1 (0.35) | KDM4EALDH1A1HPGDHTTHSD17B10 | |
| SCHEMBL496329 | 0.76 | HIF1A (0.43) | SSTR4 | |
| SCHEMBL496213 | 0.76 | CYP3A4 (0.47) | KDM4EALDH1A1MAPK1HSD17B10SSTR4 | |
| SCHEMBL3641052 | 0.74 | ACKR3 (0.36) | KDM4EALDH1A1HPGDMAPK1HTT | |
| SCHEMBL496447 | 0.68 | HTR4 (0.48) | — | |
| SCHEMBL496485 | 0.67 | KDM4E (0.34) | KDM4EALDH1A1HPGDHTTHSD17B10 | |
| SCHEMBL8209794 | 0.67 | MAPT (0.50) | KDM4EALDH1A1HTTHSD17B10 | |
| SCHEMBL2450556 | 0.67 | HCRTR1 (0.45) | MAPK1 |
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-2164847-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | Actelion Pharmaceuticals Ltd. (CH) | 2010-03-24 | — | — | EP | disclosed |
| WO-2009004584-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-01-08 | — | — | WO | disclosed |