Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.37 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | SORD | Q00796 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22304528 | 0.85 | CYP11B1 (0.43) | KIF18AHRH3IRAK4TRPV3ALDH1A1 | |
| SCHEMBL22304480 | 0.85 | ALDH1A1 (0.38) | KIF18AHRH3TRPV3ALDH1A1CYP2D6 | |
| SCHEMBL29100999 | 0.81 | HRH3 (0.39) | HRH3IRAK4TRPV3ALDH1A1CYP2D6 | |
| SCHEMBL25272328 | 0.80 | KIF18A (0.38) | KIF18AALDH1A1CYP2D6HPGDTSHR | |
| SCHEMBL29101024 | 0.80 | HRH3 (0.42) | KIF18AHRH3IRAK4TRPV3PDE10A | |
| SCHEMBL30080477 | 0.79 | CXCR4 (0.49) | HRH3IRAK4MAOBHTR6CXCR4 | |
| SCHEMBL29101002 | 0.78 | HRH3 (0.41) | HRH3IRAK4TRPV3ALDH1A1CYP2D6 | |
| SCHEMBL22304474 | 0.78 | KDM4E (0.33) | KIF18AALDH1A1MAOBHTR6DYRK1A | |
| SCHEMBL30080570 | 0.78 | KDM4E (0.33) | KIF18AALDH1A1MAOBHTR6DYRK1A | |
| SCHEMBL6475308 | 0.76 | GAA (0.51) | HRH3TRPV3PDE10ACXCR4 |
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-112996783-B | 2-aminopyrimidine derivatives, preparation method and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2022-11-18 | — | — | CN | disclosed |
| WO-2020156505-A1 | 2-AMIONPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINES | 江苏恒瑞医药股份有限公司 | 2020-08-06 | — | — | WO | disclosed |