Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14438324 | 0.86 | L3MBTL1 (0.41) | KDM1AMAOAL3MBTL1SLC6A2SLC6A4 | |
| SCHEMBL7130078 | 0.84 | GRIN2B (0.47) | L3MBTL1MEN1KMT2ASMN1; SMN2TDP1 | |
| SCHEMBL21600902 | 0.81 | ADRB2 (0.42) | L3MBTL1KCNH2MAPK1ALDH1A1KDM4E | |
| SCHEMBL13263332 | 0.81 | SIGMAR1 (0.54) | KDM1AMAOAL3MBTL1KCNH2SLC6A2 | |
| SCHEMBL13408002 | 0.81 | KDM1A (0.54) | KDM1AMAOAL3MBTL1KCNH2SLC6A2 | |
| SCHEMBL22957696 | 0.80 | KDM4E (0.37) | KDM1AMAOATDP1GRIN2BKDM4E | |
| SCHEMBL15979348 | 0.80 | GRIN2B (0.40) | KCNH2MEN1KMT2AGRIN2B | |
| SCHEMBL21346098 | 0.79 | KDM1A (0.52) | KDM1AMAOAL3MBTL1KCNH2SLC6A2 | |
| SCHEMBL22957667 | 0.78 | RIPK1 (0.40) | KDM1AMAOA | |
| SCHEMBL12775591 | 0.77 | SLC6A2 (0.50) | KDM1AMAOAL3MBTL1KCNH2SLC6A2 |
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-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |