Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | GLS | O94925 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6218596 | 0.98 | NR1H2 (0.61) | NR1H2HPGDKDM4EPKMRECQL | |
| SCHEMBL190460 | 0.98 | NR1H2 (0.61) | NR1H2HPGDKDM4EPKMRECQL | |
| SCHEMBL27600055 | 0.93 | NR1H2 (0.60) | NR1H2HPGDKDM4EPKMRECQL | |
| SCHEMBL3600795 | 0.92 | HPGD (0.57) | NR1H2HPGDKDM4EPKMRECQL | |
| SCHEMBL372033 | 0.91 | NR1H2 (0.54) | NR1H2HPGDKDM4EPKMRECQL | |
| SCHEMBL31271524 | 0.89 | NR1H2 (0.52) | NR1H2HPGDKDM4EPKMRECQL | |
| SCHEMBL16863978 | 0.88 | NR1H2 (0.58) | NR1H2HPGDKDM4EPKMRECQL | |
| SCHEMBL515486 | 0.88 | NR1H2 (0.62) | NR1H2HPGDKDM4EPKMRECQL | |
| SCHEMBL621267 | 0.88 | NR1H2 (0.62) | NR1H2HPGDKDM4EPKMRECQL | |
| SCHEMBL514696 | 0.88 | NR1H2 (0.62) | NR1H2HPGDKDM4EPKMRECQL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008038011-A1 | PYRIMIDINE DERIVATIVES AS AURORA A AND AURORA B INHIBITORS | VERNALIS (R & D) LIMITED (GB) | 2008-04-03 | — | — | WO | disclosed |