Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.37 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10263340 | 0.82 | L3MBTL1 (0.45) | L3MBTL1ADORA1ADORA2BADORA2AKDM4E | |
| SCHEMBL11750022 | 0.78 | KDM4E (0.41) | ADORA1ADORA2BADORA2AKDM4EMEN1 | |
| SCHEMBL9955368 | 0.77 | KDM4E (0.41) | L3MBTL1ADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL11750444 | 0.76 | RXRA (0.45) | ADORA1ADORA2BADORA2AKDM4EHPGD | |
| SCHEMBL9956151 | 0.75 | KDM4E (0.42) | KDM4EMEN1MAPTKMT2AGABRG2 | |
| SCHEMBL9955896 | 0.73 | NOTUM (0.39) | KDM4EMEN1MAPTKMT2ACYP11B1 | |
| SCHEMBL11401495 | 0.73 | ADORA1 (0.50) | L3MBTL1ADORA1ADORA2BADORA2AKDM4E | |
| SCHEMBL9954145 | 0.73 | NOTUM (0.44) | L3MBTL1ADORA1ADORA2BADORA2AKDM4E | |
| SCHEMBL11755076 | 0.73 | ADORA2A (0.46) | ADORA1ADORA2BADORA2AKDM4EHPGD | |
| SCHEMBL472498 | 0.72 | KIF11 (0.45) | ADORA1KDM4EHPGDALOX15MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |