Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 9/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | EDNRB | P24530 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6650620 | 0.96 | HDAC1 (0.46) | MCHR1CYP3A4HDAC6HDAC1ALOX5 | |
| SCHEMBL6651432 | 0.91 | HDAC6 (0.41) | MCHR1CYP3A4HDAC6HDAC1ALOX5 | |
| SCHEMBL6651209 | 0.91 | MCHR1 (0.45) | MCHR1CYP3A4HDAC6HDAC1ALOX5 | |
| SCHEMBL6651503 | 0.89 | S1PR1 (0.42) | MCHR1CYP3A4HDAC6HDAC1ALOX5AP | |
| SCHEMBL6648368 | 0.87 | HTR6 (0.53) | HDAC6HDAC1HTR6 | |
| SCHEMBL6646679 | 0.86 | HDAC1 (0.40) | MCHR1CYP3A4HDAC6HDAC1ALOX5 | |
| SCHEMBL6651340 | 0.84 | HDAC1 (0.39) | MCHR1CYP3A4HDAC6HDAC1ALOX5 | |
| SCHEMBL6647191 | 0.84 | HDAC1 (0.39) | MCHR1CYP3A4HDAC6HDAC1ALOX5 | |
| SCHEMBL7130580 | 0.83 | CYP3A4 (0.49) | MCHR1CYP3A4HDAC6HDAC1EDNRB | |
| SCHEMBL6650125 | 0.80 | HDAC1 (0.40) | MCHR1CYP3A4HDAC6HDAC1HTR6 |
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 |