Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.37 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | WRN | Q14191 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20054789 | 0.78 | ALOX5 (0.39) | TP53ALDH1A1HPGDLMNAKMT2A | |
| SCHEMBL27572922 | 0.74 | GABBR2 (0.45) | GABBR2GABBR1TP53MAPTWRN | |
| SCHEMBL14295828 | 0.74 | GABBR2 (0.40) | GABBR2GABBR1TP53MAPTWRN | |
| SCHEMBL27551239 | 0.73 | GABBR2 (0.41) | GABBR2GABBR1TP53ALDH1A1NPSR1 | |
| SCHEMBL12204156 | 0.72 | GABBR2 (0.40) | GABBR2GABBR1TP53MAPTWRN | |
| SCHEMBL680633 | 0.72 | — | — | |
| SCHEMBL29045259 | 0.72 | GABBR2 (0.43) | GABBR2GABBR1TP53MAPTALDH1A1 | |
| SCHEMBL20032385 | 0.71 | GABBR2 (0.49) | GABBR2GABBR1TP53MAPTWRN | |
| SCHEMBL19386720 | 0.71 | GABBR2 (0.38) | GABBR2GABBR1TP53MAPTWRN | |
| SCHEMBL9830633 | 0.70 | — | — |
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-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |