Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.50 |
| ▸ | JAK3 | P52333 | 14/20 | 0.49 |
| ▸ | BTK | Q06187 | 3/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 1/20 | 0.49 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14914654 | 0.89 | JAK3 (0.58) | EGFRJAK3BTKABCB11ESR1 | |
| SCHEMBL14915086 | 0.85 | EGFR (0.70) | EGFRJAK3BTKABCB11ESR1 | |
| SCHEMBL18010730 | 0.81 | IRAK4 (0.56) | EGFRIRAK4JAK2LRRK2 | |
| SCHEMBL14924581 | 0.79 | EGFR (0.63) | EGFRJAK3BTKABCB11ESR1 | |
| SCHEMBL14916009 | 0.78 | JAK3 (0.61) | EGFRJAK3BTKABCB11ESR1 | |
| SCHEMBL14913706 | 0.77 | EGFR (0.70) | EGFRJAK3BTKABCB11ESR1 | |
| SCHEMBL14924541 | 0.76 | EGFR (0.70) | EGFRJAK3BTKABCB11ESR1 | |
| SCHEMBL19251664 | 0.76 | EGFR (0.57) | EGFRJAK3BTKABCB11ESR1 | |
| SCHEMBL14915332 | 0.76 | EGFR (0.63) | EGFRJAK3BTKABCB11ESR1 | |
| SCHEMBL14915203 | 0.75 | JAK3 (0.70) | EGFRJAK3BTKABCB11ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE46511-E1 | Fused pyrimidine derivatives for inhibition of tyrosine kinase activity | HANMI SCIENCE CO., LTD. (KR) | 2017-08-15 | — | — | US | disclosed |