Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 7/20 | 0.47 |
| ▸ | NOS1 | P29475 | 7/20 | 0.47 |
| ▸ | NOS2 | P35228 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 3/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | REN | P00797 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL499229 | 0.92 | NOS3 (0.54) | NOS3NOS1NOS2KDM4EMAPT | |
| SCHEMBL6369246 | 0.82 | MAPT (0.37) | NOS3NOS1NOS2KDM4EMAPT | |
| SCHEMBL2061505 | 0.82 | GAA (0.39) | KDM4EMAPTALDH1A1PTK2BHTR2A | |
| SCHEMBL218638 | 0.81 | NOS3 (0.54) | NOS3NOS1NOS2KDM4EMAPT | |
| SCHEMBL499823 | 0.79 | NOS3 (0.45) | NOS3NOS1NOS2MAPTALDH1A1 | |
| SCHEMBL2062755 | 0.78 | MAPT (0.43) | KDM4EMAPTALDH1A1PTK2BGAA | |
| SCHEMBL17505045 | 0.77 | NOS3 (0.51) | NOS3NOS1NOS2KDM4EMAPT | |
| SCHEMBL2674785 | 0.77 | ALDH1A1 (0.52) | NOS3NOS1NOS2KDM4EMAPT | |
| SCHEMBL15266859 | 0.76 | AR (0.44) | NOS3NOS1NOS2KDM4EMAPT | |
| SCHEMBL2913833 | 0.76 | MAPT (0.36) | KDM4EMAPTALDH1A1GAACHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5756496-A | Amide derivatives having 5HT1D-antagonist activity | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-05-26 | — | — | US | disclosed |
| EP-0763034-A1 | AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1997-03-19 | — | — | EP | disclosed |
| WO-1995032967-A1 | AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1995-12-07 | — | — | WO | disclosed |