Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28069120 | 0.83 | KDM4E (0.59) | MAPTLMNASMN1; SMN2ALDH1A1EPHX2 | |
| SCHEMBL11926736 | 0.82 | KDM4E (0.65) | SMN1; SMN2ALDH1A1EPHX2KDM4EDRD2 | |
| SCHEMBL11926732 | 0.80 | ALDH1A1 (0.73) | MAPTLMNASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL21886955 | 0.80 | EPHX2 (0.48) | MAPTLMNASMN1; SMN2EPHX2 | |
| SCHEMBL5321100 | 0.80 | ATM (0.58) | ALDH1A1KDM4EMAPK1ATM | |
| SCHEMBL11161262 | 0.79 | HTR2A (0.56) | MAPTDRD2 | |
| SCHEMBL9884550 | 0.79 | MAPT (0.63) | MAPTLMNASMN1; SMN2ALDH1A1EPHX2 | |
| SCHEMBL13783262 | 0.78 | POLB (0.54) | SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL2056388 | 0.76 | MAPT (0.59) | MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL19514709 | 0.76 | MEN1 (0.61) | MAPTLMNASMN1; SMN2ALDH1A1KDM4E |
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-2021078141-A1 | NOVEL PURINE DERIVATIVE, INTERMEDIATE AND APPLICATION THEREOF IN PREPARING ANTICANCER MEDICINE | 苏州锐明新药研发有限公司 | 2021-04-29 | — | — | WO | disclosed |