Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.49 |
| ▸ | AURKA | O14965 | 5/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 5/20 | 0.43 |
| ▸ | GABRD | O14764 | 5/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 5/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 5/20 | 0.43 |
| ▸ | GABRE | P78334 | 5/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28489192 | 0.78 | AURKA (0.48) | HSP90AA1AURKACDK5CDK5R1LMNA | |
| SCHEMBL28486773 | 0.77 | AURKA (0.49) | HSP90AA1AURKACDK5CDK5R1LMNA | |
| SCHEMBL5956560 | 0.77 | CDK5 (0.56) | HSP90AA1AURKACDK5CDK5R1LMNA | |
| SCHEMBL18386767 | 0.74 | CDK5 (0.51) | HSP90AA1AURKACDK5CDK5R1LMNA | |
| SCHEMBL6696416 | 0.74 | CDK5 (0.51) | HSP90AA1AURKACDK5CDK5R1LMNA | |
| SCHEMBL4161172 | 0.74 | GABRP (0.53) | HSP90AA1AURKACDK5CDK5R1LMNA | |
| SCHEMBL30423157 | 0.74 | GABRP (0.53) | HSP90AA1AURKACDK5CDK5R1LMNA | |
| SCHEMBL23926997 | 0.72 | LMNA (0.48) | HSP90AA1AURKALMNAMEN1KMT2A | |
| SCHEMBL5956445 | 0.71 | CDK5 (0.53) | HSP90AA1AURKACDK5CDK5R1LMNA | |
| SCHEMBL30583952 | 0.70 | GABRP (0.56) | HSP90AA1AURKACDK5CDK5R1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1797073-A4 | BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-09-02 | — | — | EP | disclosed |
| EP-1797073-A2 | BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006031610-A2 | BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-03-23 | — | — | WO | disclosed |