Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.39 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CMA1 | P23946 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL27753891 | 0.83 | PDK2 (0.44) | PDK2RXFP1P2RX1ERCC5FEN1 | |
| SCHEMBL28872705 | 0.79 | HSP90AB1 (0.40) | PDK2SLC6A2SLC6A4CES2CES1 | |
| SCHEMBL31388520 | 0.78 | ALB (0.57) | SLC6A2SLC6A4CES2CES1BCHE | |
| SCHEMBL1259459 | 0.78 | ALB (0.57) | SLC6A2SLC6A4CES2CES1BCHE | |
| SCHEMBL4446378 | 0.78 | CES2 (0.45) | SLC6A2SLC6A4CES2CES1BCHE | |
| SCHEMBL31599609 | 0.78 | CES2 (0.61) | PDK2CES2CES1BCHERXFP1 | |
| SCHEMBL633282 | 0.78 | CES2 (0.61) | PDK2CES2CES1BCHERXFP1 | |
| SCHEMBL1155949 | 0.77 | PTPN1 (0.58) | CES2CES1RXFP1PTPN1ERCC5 | |
| SCHEMBL30036725 | 0.77 | PTPN1 (0.58) | CES2CES1RXFP1PTPN1ERCC5 | |
| SCHEMBL2325174 | 0.77 | SLC6A2 (0.38) | SLC6A2SLC6A4CES2CES1BCHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-103936819-B | Hepatitis c virus inhibitors | 百时美施贵宝公司 | 2016-11-16 | — | — | CN | disclosed |