Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL214811 | 0.78 | DHFR (0.37) | SSTR4ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL30780929 | 0.78 | DHFR (0.37) | SSTR4ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL31429395 | 0.76 | CYP3A4 (0.44) | SSTR4ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL24117840 | 0.74 | ALDH1A1 (0.36) | SSTR4ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL24117847 | 0.74 | PTGDR2 (0.40) | ALDH1A1MAPK1SCDPDE4APDE4B | |
| SCHEMBL2021783 | 0.72 | PTGS1 (0.31) | — | |
| SCHEMBL29805550 | 0.72 | ELANE (0.57) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL5141079 | 0.71 | PDE4A (0.40) | ESR1ALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL2078485 | 0.70 | HTR3A (0.46) | CYP3A4TSHRBTKHTR3AMEN1 | |
| SCHEMBL24291913 | 0.70 | CYP11B2 (0.41) | ESR1PDE4APDE4BPDE4CPDE4D |
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-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |