Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL12076597 | 0.73 | ALDH1A1 (0.49) | KDM4EGAAALDH1A1NPSR1LCK | |
| SCHEMBL9664034 | 0.69 | KDM4E (0.41) | KDM4EGAAALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL6190784 | 0.69 | KDM4E (0.95) | KDM4EGAAALDH1A1MAPK1CTSK | |
| SCHEMBL15954538 | 0.67 | KDM4E (1.00) | KDM4EGAAALDH1A1MAPK1CTSK | |
| SCHEMBL7768908 | 0.67 | KDM4E (1.00) | KDM4EGAAALDH1A1MAPK1CTSK | |
| SCHEMBL1905978 | 0.66 | CYP2C19 (0.39) | KDM4EALDH1A1MAPK1CYP2C19KMT2A | |
| SCHEMBL15045666 | 0.66 | ALDH1A1 (0.42) | KDM4EGAAALDH1A1NPSR1MAPK1 | |
| Isaxonine SCHEMBL1270289 | 0.65 | KCNH3 (0.43) | KDM4EGAAALDH1A1MAPK1LCK | |
| SCHEMBL12162873 | 0.64 | KDM4E (0.87) | KDM4EGAAALDH1A1MAPK1CTSK | |
| SCHEMBL21742249 | 0.64 | TP53 (0.50) | KDM4EALDH1A1SMN1; SMN2MAPTKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165522-A1 | NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES | Krenitsky Pharmaceuticals, Inc. (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059893-A1 | NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES | KRENITSKY PHARMACEUTICALS INC. (US) | 2000-10-12 | — | — | WO | disclosed |