Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 6/20 | 0.46 |
| ▸ | CASP1 | P29466 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CASP7 | P55210 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | STAT1 | P42224 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1929183 | 0.93 | KDM4E (0.54) | KDM4ENPC1RAB9AHSD17B10HPGD | |
| Trifluoroacetic Acid SCHEMBL3844344 | 0.86 | TP53 (0.32) | KDM4ENPC1RAB9AMAPTTP53 | |
| SCHEMBL1928601 | 0.78 | KDM4E (0.57) | KDM4ENPC1RAB9AHSD17B10HPGD | |
| SCHEMBL1929215 | 0.74 | DPP4 (0.56) | KDM4ENPC1RAB9AHSD17B10HPGD | |
| SCHEMBL1930252 | 0.73 | DPP4 (0.38) | NPC1RAB9AMAPTTP53MEN1 | |
| SCHEMBL20697060 | 0.67 | KDM4E (0.64) | KDM4ENPC1RAB9AHSD17B10HPGD | |
| SCHEMBL8261322 | 0.67 | — | — | |
| SCHEMBL19436668 | 0.66 | KDM4E (0.61) | KDM4ENPC1RAB9AHSD17B10HPGD | |
| SCHEMBL25117794 | 0.66 | ALDH1A1 (0.60) | KDM4ENPC1RAB9AHSD17B10HPGD | |
| SCHEMBL16390947 | 0.65 | KDM4E (0.56) | KDM4ENPC1RAB9AHSD17B10HPGD |
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-1841770-B1 | BICYCLIC PYRIMIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |