Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | FGB | P02675 | 1/20 | 0.39 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.39 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20151889 | 0.82 | KDM4E (0.41) | KDM4EMAPTALDH1A1ALOX15HSD17B10 | |
| SCHEMBL9499461 | 0.78 | KDM4E (0.69) | KDM4EMAPTALDH1A1ALOX15HSD17B10 | |
| SCHEMBL4899087 | 0.72 | KDM4E (0.71) | KDM4EMAPTALDH1A1ALOX15HSD17B10 | |
| SCHEMBL6651894 | 0.72 | KDM4E (0.71) | KDM4EMAPTALDH1A1ALOX15HSD17B10 | |
| SCHEMBL6920287 | 0.72 | KDM4E (0.71) | KDM4EMAPTALDH1A1ALOX15HSD17B10 | |
| SCHEMBL4905688 | 0.72 | KDM4E (0.71) | KDM4EMAPTALDH1A1ALOX15HSD17B10 | |
| SCHEMBL21282869 | 0.71 | PFKFB3 (0.34) | KDM4EL3MBTL1PFKFB3 | |
| SCHEMBL8492355 | 0.71 | KDM4E (0.59) | KDM4EMAPTALDH1A1ALOX15HSD17B10 | |
| SCHEMBL14991551 | 0.71 | KDM4E (0.55) | KDM4EMAPTALDH1A1ALOX15HSD17B10 | |
| SCHEMBL24490055 | 0.70 | — | — |
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-2018087021-A1 | SUBSTITUTED QUINOXALINE DERIVATIVES AS INHIBITORS OF PFKFB | MERCK PATENT GMBH (DE) | 2018-05-17 | — | — | WO | disclosed |