Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30115310 | 0.79 | EGFR (0.57) | EGFRPDGFRAKDRGAKAURKA | |
| SCHEMBL22505593 | 0.79 | EGFR (0.57) | EGFRSLC6A3PDGFRAKDRGAK | |
| SCHEMBL28968030 | 0.79 | EGFR (0.57) | EGFRPDGFRAKDRGAKAURKA | |
| SCHEMBL22505737 | 0.76 | KDR (0.54) | EGFRSLC6A3PDGFRAKDRAURKB | |
| SCHEMBL25015827 | 0.75 | CYP2D6 (0.62) | EGFRCYP2D6CYP1A2KCNH2ABCB11 | |
| SCHEMBL30880464 | 0.75 | GAK (0.54) | EGFRSLC6A3PDGFRAKDRGAK | |
| SCHEMBL20536430 | 0.74 | CYP2D6 (0.61) | EGFRCYP2D6CYP1A2KCNH2ABCB11 | |
| SCHEMBL10762102 | 0.74 | CYP2D6 (0.80) | EGFRCYP2D6CYP1A2KCNH2ABCB11 | |
| SCHEMBL14079163 | 0.74 | KDR (0.57) | SLC6A3PDGFRAKDRAURKAMET | |
| SCHEMBL28968037 | 0.74 | EGFR (0.50) | EGFRPDGFRAKDRGAKAURKA |
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-119097624-A | Mannich base compound and novel pharmaceutical application thereof | 中国人民解放军空军军医大学 | 2024-12-10 | — | — | CN | disclosed |