Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.53 |
| ▸ | HTR3A | P46098 | 3/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7242525 | 0.88 | ADRB1 (0.53) | ADRB1HTR3AHTR1ADRD2DRD3 | |
| SCHEMBL7242984 | 0.83 | HTT (0.49) | ADRB1HTR3AHTR1ADRD2DRD3 | |
| SCHEMBL7248902 | 0.78 | ADRB1 (0.43) | ADRB1HTR3AHTR1ADRD2DRD3 | |
| SCHEMBL6631185 | 0.77 | CYP1A2 (0.52) | ALDH1A1KDM4ELMNAHRH4 | |
| SCHEMBL14377494 | 0.75 | ALDH1A1 (0.46) | ADRB1HTR3AALDH1A1KDM4ELMNA | |
| SCHEMBL6128549 | 0.74 | ALDH1A1 (0.68) | ADRB1HTR3AHTR1ADRD2DRD3 | |
| SCHEMBL6651171 | 0.73 | ALDH1A1 (0.56) | ADRB1HTR3AHTR1AALDH1A1KDM4E | |
| SCHEMBL6651477 | 0.73 | ADRB1 (0.47) | ADRB1HTR3AHTR1AHRH4 | |
| SCHEMBL6782999 | 0.73 | ADRB1 (0.53) | ADRB1ALDH1A1KDM4ELMNAAHR | |
| SCHEMBL13398441 | 0.72 | HTR3A (0.55) | ADRB1HTR3AHTR1AHTR6HTR7 |
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 |