Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.30 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | KCNB1 | Q14721 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30772197 | 0.80 | HSD17B10 (0.44) | POLBALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL24802505 | 0.80 | HSD17B10 (0.44) | POLBALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL24803754 | 0.80 | KDM4E (0.31) | ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL30148685 | 0.79 | MEN1 (0.43) | POLBALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL28882452 | 0.74 | DRD2 (0.34) | DRD2 | |
| SCHEMBL30148651 | 0.73 | EGFR (0.43) | ALDH1A1 | |
| SCHEMBL24804875 | 0.72 | NR1H4 (0.44) | POLBALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL2401781 | 0.69 | DRD2 (0.43) | DRD2POLBALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL24803291 | 0.68 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C19 | |
| SCHEMBL30772199 | 0.68 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117580836-A | Pyrimidine ring structure derivative and application thereof | 四川汇宇制药股份有限公司 | 2024-02-20 | — | — | CN | disclosed |
| WO-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |