Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | IDH2 | P48735 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ECE1 | P42892 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
| ▸ | F7 | P08709 | 1/20 | 0.32 |
| ▸ | F3 | P13726 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28748416 | 0.87 | PDPK1 (0.40) | BCAT2CHEK2PDPK1LOXL2 | |
| SCHEMBL29228755 | 0.76 | PDPK1 (0.46) | BCAT2CHEK2SLC6A9PDPK1PTGDR2 | |
| Trifluoroacetic Acid SCHEMBL19616928 | 0.71 | PRSS1 (0.42) | DPP4DPP7PDPK1IDH2PTGDR2 | |
| Trifluoroacetic Acid SCHEMBL7814147 | 0.70 | PTPRC (0.39) | BCAT2F2MAPTKMT2A | |
| Trifluoroacetic Acid SCHEMBL2349737 | 0.69 | ALDH1A1 (0.60) | DPP4DPP7L3MBTL1MEN1MAPT | |
| Trifluoroacetic Acid SCHEMBL6990558 | 0.68 | ALDH1A1 (0.48) | L3MBTL1MEN1MAPTKMT2A | |
| SCHEMBL29228590 | 0.68 | KMT2A (0.50) | L3MBTL1ECE1MEN1MAPTKMT2A | |
| Oxalic Acid SCHEMBL27447145 | 0.66 | BCAT2 (0.70) | BCAT2L3MBTL1MEN1KMT2A | |
| SCHEMBL2153729 | 0.66 | PDPK1 (0.46) | CHEK2PDPK1HDAC2LOXL2HDAC3 | |
| SCHEMBL2887102 | 0.65 | CHEK2 (0.43) | CHEK2PDPK1 |
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-1337961-A | Heteroaryl amidines, methyl amidiues and guanidines as protease inhibitors | DIMENSIONAL PHARM INC (US) | 2002-02-27 | — | — | CN | disclosed |