Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 2/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4074647 | 1.00 | PLA2G2A (0.43) | PLA2G2AFBP1CCR2APEX1KDM4E | |
| SCHEMBL259722 | 0.82 | ALDH1A1 (0.43) | PLA2G2AKDM4ETSHRTDP1MEN1 | |
| SCHEMBL4072566 | 0.81 | ALDH1A1 (0.41) | PLA2G2AKDM4ETSHRTDP1MEN1 | |
| SCHEMBL260848 | 0.72 | FBP1 (0.44) | FBP1APEX1KDM4ETSHRTDP1 | |
| SCHEMBL260983 | 0.70 | GAA (0.44) | PLA2G2ACYP1A2ALDH1A1KMT2A | |
| SCHEMBL2010405 | 0.70 | PLA2G2A (0.59) | PLA2G2A | |
| SCHEMBL3535123 | 0.69 | GPR35 (0.54) | FBP1APEX1TSHRTDP1L3MBTL1 | |
| SCHEMBL2005751 | 0.69 | PLA2G2A (0.46) | PLA2G2AKDM4ETSHRTDP1L3MBTL1 | |
| SCHEMBL2979855 | 0.69 | CCR2 (0.52) | CCR2KDM4ETSHRTDP1L3MBTL1 | |
| SCHEMBL2004563 | 0.68 | PLA2G2A (0.51) | PLA2G2A |
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-1793827-A4 | TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-07-29 | — | — | EP | disclosed |
| EP-1793827-A2 | TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006031491-A2 | TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-03-23 | — | — | WO | disclosed |