Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 3/20 | 0.35 |
| ▸ | NCF1 | P14598 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.35 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28425579 | 0.84 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL10061518 | 0.84 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL16514423 | 0.78 | ALDH1A1 (0.62) | ALDH1A1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL2894409 | 0.77 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL30464713 | 0.75 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL22471212 | 0.75 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL22164011 | 0.75 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL29771873 | 0.74 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL24625641 | 0.74 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL24620621 | 0.74 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1KDM4EMAPTGAA |
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-2022147620-A1 | THIENYL AND CYCLOALKYL AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF | ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) | 2022-07-14 | — | — | WO | disclosed |