Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
| ▸ | HTR3A | P46098 | 6/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 5/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL470183 | 0.81 | ADRB1 (0.47) | ADRB1HTR6HTR3AHTR3EHTR3B | |
| SCHEMBL31586562 | 0.77 | ALDH1A1 (0.47) | — | |
| SCHEMBL6630178 | 0.77 | HTR6 (0.44) | ADRB1HTR6HTR3AHTR3EHTR3B | |
| SCHEMBL24984213 | 0.74 | ALDH1A1 (0.48) | ADRB1HTR6HTR3AHTR3EHTR3B | |
| SCHEMBL30164103 | 0.74 | ALDH1A1 (0.48) | ADRB1HTR6HTR3AHTR3EHTR3B | |
| SCHEMBL470181 | 0.73 | ADRB1 (0.47) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL470231 | 0.73 | ALDH1A1 (0.47) | ADRB1HTR6HTR3AHTR3EHTR3B | |
| SCHEMBL13398441 | 0.72 | HTR3A (0.55) | ADRB1HTR6HTR3AHTR3EHTR3B | |
| SCHEMBL2366486 | 0.72 | ADRB1 (0.57) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL20606115 | 0.71 | HSD17B10 (0.33) | — |
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 |