Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.68 |
| ▸ | BTK | Q06187 | 3/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | PDE4A | P27815 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | KDR | P35968 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL19253112 | 0.99 | EGFR (0.69) | EGFRBTKHRH3ABCB11ESR1 | |
| SCHEMBL19253114 | 0.92 | EGFR (0.57) | EGFRBTKHRH3ABCB11ESR1 | |
| SCHEMBL14914615 | 0.91 | EGFR (0.67) | EGFRBTKHRH3ABCB11ESR1 | |
| SCHEMBL19251242 | 0.91 | EGFR (0.65) | EGFRBTKHRH3ABCB11ESR1 | |
| SCHEMBL14914784 | 0.90 | EGFR (0.67) | EGFRBTKHRH3ABCB11ESR1 | |
| SCHEMBL19251533 | 0.88 | JAK3 (0.59) | EGFRBTKHRH3ABCB11ESR1 | |
| SCHEMBL19251532 | 0.86 | EGFR (0.56) | EGFRBTKHRH3ABCB11ESR1 | |
| SCHEMBL19253275 | 0.86 | EGFR (0.56) | EGFRBTKHRH3ABCB11ESR1 | |
| SCHEMBL19253111 | 0.86 | EGFR (0.54) | EGFRBTKHRH3ABCB11ESR1 | |
| SCHEMBL14915427 | 0.85 | JAK3 (0.67) | EGFRBTKHRH3ABCB11ESR1 |
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 |