Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.41 |
| ▸ | ACP1 | P24666 | 2/20 | 0.41 |
| ▸ | CDC25B | P30305 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12027602 | 0.91 | RIPK1 (0.36) | PTPN1ACP1CDC25BALDH1A1TSHR | |
| SCHEMBL30167913 | 0.84 | PTPN1 (0.44) | PTPN1ACP1CDC25BALDH1A1TSHR | |
| SCHEMBL898657 | 0.84 | PTPN1 (0.44) | PTPN1ACP1CDC25BALDH1A1TSHR | |
| SCHEMBL30435003 | 0.83 | SNCA (0.40) | PTPN1ACP1CDC25BALDH1A1SMN1; SMN2 | |
| SCHEMBL28447446 | 0.83 | SNCA (0.40) | PTPN1ACP1CDC25BALDH1A1SMN1; SMN2 | |
| SCHEMBL26076653 | 0.83 | PTPN1 (0.47) | PTPN1ACP1CDC25BALDH1A1TSHR | |
| SCHEMBL31551715 | 0.82 | PTPN1 (0.42) | PTPN1ACP1CDC25BALDH1A1TSHR | |
| SCHEMBL15304876 | 0.76 | PTPN1 (0.40) | PTPN1ACP1CDC25BALDH1A1HSD17B10 | |
| SCHEMBL25253304 | 0.72 | PTPN1 (0.44) | PTPN1ACP1CDC25BALDH1A1MAPT | |
| SCHEMBL319410 | 0.72 | PTPN1 (0.50) | PTPN1ACP1CDC25BALDH1A1SMN1; SMN2 |
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-2004087650-A2 | PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BETA-AMINO ACID AMIDE DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK & CO. INC. (US) | 2004-10-14 | — | — | WO | disclosed |