Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 5/20 | 0.39 |
| ▸ | MAOA | P21397 | 4/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6651503 | 0.92 | S1PR1 (0.42) | MCHR1HDAC1HDAC6CYP3A4S1PR1 | |
| SCHEMBL6652167 | 0.91 | MCHR1 (0.48) | MCHR1HDAC1HDAC6CYP3A4ALOX5AP | |
| SCHEMBL6650620 | 0.91 | HDAC1 (0.46) | MCHR1HDAC1HDAC6CYP3A4MAOB | |
| SCHEMBL6649851 | 0.89 | MCHR1 (0.43) | MCHR1HDAC1HDAC6CYP3A4S1PR1 | |
| SCHEMBL6646679 | 0.88 | HDAC1 (0.40) | MCHR1HDAC1HDAC6CYP3A4MAOB | |
| SCHEMBL6651432 | 0.88 | HDAC6 (0.41) | MCHR1HDAC1HDAC6CYP3A4MAOB | |
| SCHEMBL6628574 | 0.83 | PTGS1 (0.46) | MCHR1HDAC1HDAC6CYP3A4S1PR1 | |
| SCHEMBL6648368 | 0.82 | HTR6 (0.53) | HDAC1HDAC6MAOBMAOA | |
| SCHEMBL6651340 | 0.81 | HDAC1 (0.39) | MCHR1HDAC1HDAC6CYP3A4IGF1R | |
| SCHEMBL6651066 | 0.81 | S1PR1 (0.42) | MCHR1HDAC1HDAC6CYP3A4S1PR1 |
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 |