Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2088573 | 0.92 | CYP19A1 (0.40) | SLC6A4POLBCYP19A1HTTSLC6A2 | |
| SCHEMBL28615059 | 0.84 | MEN1 (0.44) | PPARGPPARACNR1SLC6A4MEN1 | |
| SCHEMBL3136328 | 0.79 | GABBR2 (0.43) | RAB9AHTTSLC6A3 | |
| SCHEMBL16439493 | 0.77 | GABBR2 (0.58) | PPARGPPARATHRBMEN1KMT2A | |
| SCHEMBL29120227 | 0.76 | GABBR2 (0.39) | SLC6A4HTTSLC6A2SLC6A3 | |
| SCHEMBL11225612 | 0.76 | MEN1 (0.40) | MAPTTHRBMEN1KMT2AHTT | |
| SCHEMBL28819403 | 0.75 | PPARG (0.45) | PPARGPPARAMAPTTHRBCNR1 | |
| SCHEMBL18382609 | 0.73 | GABBR2 (0.56) | MAPTTHRBSLC6A4MEN1KMT2A | |
| SCHEMBL26922771 | 0.73 | GABBR2 (0.56) | MAPTTHRBSLC6A4MEN1KMT2A | |
| SCHEMBL26923676 | 0.73 | GABBR2 (0.56) | MAPTTHRBSLC6A4MEN1KMT2A |
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-3027593-B1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2020-06-10 | — | — | EP | disclosed |