Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.45 |
| ▸ | LCK | P06239 | 3/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | INSR | P06213 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21980702 | 1.00 | EGFR (0.45) | EGFRLCKMLNRKDM1AABCB11 | |
| SCHEMBL18387041 | 0.90 | EGFR (0.52) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL30011736 | 0.90 | EGFR (0.52) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL30930093 | 0.89 | EGFR (0.40) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL20357839 | 0.89 | EGFR (0.42) | EGFRLCK | |
| SCHEMBL20357838 | 0.89 | EGFR (0.40) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL20358053 | 0.87 | EGFR (0.45) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL20358025 | 0.86 | EGFR (0.43) | EGFRKDRKCNH2 | |
| SCHEMBL21980704 | 0.85 | EGFR (0.45) | EGFRLCKMLNRKDM1AABCB11 | |
| SCHEMBL29464096 | 0.84 | EGFR (0.65) | EGFRMLNRKDM1AABCB11ERBB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3345900-B1 | 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF | BEBETTER MED INC (CN) | 2024-06-12 | — | — | EP | disclosed |