Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28340407 | 0.86 | CYP2D6 (0.41) | ALOX5CYP2D6SRCLMNACES2 | |
| SCHEMBL1959777 | 0.83 | TSHR (0.46) | HPGDALOX5CYP2D6SRCLMNA | |
| SCHEMBL27838181 | 0.76 | GPR139 (0.49) | HPGDCYP2D6SRCLMNACES2 | |
| SCHEMBL14355132 | 0.75 | HPGD (0.42) | HPGDCYP2D6LMNAKMT2ADAO | |
| SCHEMBL14355125 | 0.75 | ADRA2C (0.39) | CYP2D6LMNAKMT2ADAO | |
| SCHEMBL12590975 | 0.75 | ADRA2C (0.39) | CYP2D6LMNAKMT2ADAO | |
| SCHEMBL9817188 | 0.73 | CYP2C19 (0.41) | HPGDALOX5CYP2D6SRCLMNA | |
| SCHEMBL11443376 | 0.72 | ADRA2C (0.40) | CYP2D6LMNAKMT2ADAO | |
| SCHEMBL6535241 | 0.72 | ADRA2C (0.40) | CYP2D6LMNAKMT2ADAO | |
| SCHEMBL3929030 | 0.72 | POLB (0.44) | HPGDLMNACES2CES1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2468744-A2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-27 | — | — | EP | disclosed |