Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 8/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | YWHAG | P61981 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 7/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6630880 | 0.89 | LTA4H (0.54) | MAPK8MAPK10KDM4EMEN1MAPT | |
| SCHEMBL22542062 | 0.85 | KDM4E (0.51) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL11217216 | 0.76 | HSD17B10 (0.53) | KDM4EMEN1MAPTTHRBALOX15 | |
| SCHEMBL20883677 | 0.74 | KDM4E (0.48) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL13870124 | 0.73 | ALDH1A1 (0.48) | MAPTGFERKMT2AHTTALDH1A1 | |
| SCHEMBL23546131 | 0.73 | HTR3A (0.50) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL27675711 | 0.73 | ADRB1 (0.49) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL17916000 | 0.72 | OPRK1 (0.50) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL2881718 | 0.72 | ADRB1 (0.79) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Hydrochloric Acid SCHEMBL31349206 | 0.72 | ADRB1 (0.47) | HTR3AHTR3EHTR3BHTR3DHTR3C |
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-1389194-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002088101-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | WO | disclosed |