Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.32 |
| ▸ | EDNRB | P24530 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 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 | |
|---|---|---|---|---|
| SCHEMBL6651432 | 0.90 | HDAC6 (0.41) | HDAC1HDAC6MCHR1CYP3A4HTR6 | |
| SCHEMBL6650925 | 0.89 | HDAC1 (0.36) | HDAC1HDAC6MCHR1CYP3A4OPRM1 | |
| SCHEMBL6650620 | 0.86 | HDAC1 (0.46) | HDAC1HDAC6MCHR1CYP3A4HTR6 | |
| SCHEMBL6646679 | 0.85 | HDAC1 (0.40) | HDAC1HDAC6MCHR1CYP3A4HTR6 | |
| SCHEMBL6652167 | 0.84 | MCHR1 (0.48) | HDAC1HDAC6MCHR1CYP3A4HTR6 | |
| SCHEMBL6650125 | 0.83 | HDAC1 (0.40) | HDAC1HDAC6MCHR1CYP3A4HTR6 | |
| SCHEMBL6651209 | 0.81 | MCHR1 (0.45) | HDAC1HDAC6MCHR1CYP3A4ALOX5 | |
| SCHEMBL6647191 | 0.81 | HDAC1 (0.39) | HDAC1HDAC6MCHR1CYP3A4HTR6 | |
| SCHEMBL6648368 | 0.80 | HTR6 (0.53) | HDAC1HDAC6HTR6CYP2D6 | |
| SCHEMBL6651503 | 0.79 | S1PR1 (0.42) | HDAC1HDAC6MCHR1CYP3A4ALOX5AP |
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 |