Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 20/20 | 0.66 |
| ▸ | INSR | P06213 | 2/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.63 |
| ▸ | IGF1R | P08069 | 2/20 | 0.63 |
| ▸ | MLNR | O43193 | 1/20 | 0.59 |
| ▸ | KDM1A | O60341 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | HTR1A | P08908 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | DRD2 | P14416 | 1/20 | 0.59 |
| ▸ | NQO2 | P16083 | 1/20 | 0.59 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.59 |
| ▸ | DRD1 | P21728 | 1/20 | 0.59 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL14663297 | 0.88 | EGFR (0.80) | EGFRINSRKCNH2IGF1RMLNR | |
| SCHEMBL17822353 | 0.88 | EGFR (0.78) | EGFRINSRKCNH2IGF1RMLNR | |
| SCHEMBL28637613 | 0.88 | EGFR (0.59) | EGFRINSRKCNH2IGF1RMLNR | |
| SCHEMBL17831553 | 0.86 | EGFR (0.67) | EGFRINSRKCNH2IGF1RMLNR | |
| SCHEMBL17831560 | 0.86 | EGFR (0.75) | EGFRINSRKCNH2IGF1RMLNR | |
| SCHEMBL28641848 | 0.86 | EGFR (0.78) | EGFRINSRKCNH2IGF1RMLNR | |
| SCHEMBL28634653 | 0.85 | EGFR (0.56) | EGFRINSRKCNH2IGF1RMLNR | |
| SCHEMBL17831558 | 0.82 | EGFR (0.69) | EGFRINSRKCNH2IGF1RMLNR | |
| SCHEMBL28942135 | 0.82 | EGFR (0.70) | EGFRINSRKCNH2IGF1RMLNR | |
| SCHEMBL28469759 | 0.82 | EGFR (0.70) | EGFRINSRKCNH2IGF1RMLNR |
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 |
|---|---|---|---|---|---|---|---|
| CN-107793413-B | Pyrimidine heterocyclic compound and preparation method and application thereof | 上海科州药物研发有限公司 | 2021-09-28 | — | — | CN | disclosed |