Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.48 |
| ▸ | CNR1 | P21554 | 3/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | NSD2 | O96028 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.43 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31664319 | 0.94 | IGF1R (0.48) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL2331346 | 0.94 | IGF1R (0.48) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL2331342 | 0.94 | IGF1R (0.48) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL17196934 | 0.89 | CNR1 (0.53) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL6523000 | 0.88 | IGF1R (0.45) | CNR1CNR2BTKUSP30 | |
| SCHEMBL6523004 | 0.88 | IGF1R (0.45) | CNR1CNR2BTKUSP30 | |
| SCHEMBL20155254 | 0.88 | IGF1R (0.45) | CNR1CNR2BTKUSP30 | |
| SCHEMBL1748635 | 0.87 | KMT2A (0.54) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL20154982 | 0.87 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL1782933 | 0.87 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3530656-B1 | 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF | UNIV ZHEJIANG (CN) | 2022-01-05 | — | — | EP | disclosed |
| EP-3221306-B1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-11-13 | — | — | EP | disclosed |
| EP-3530656-A1 | 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF | Zhejiang University (CN) | 2019-08-28 | — | — | EP | disclosed |
| WO-2018086547-A1 | 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF | 浙江大学 | 2018-05-17 | — | — | WO | disclosed |