Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20631710 | 0.84 | KAT2B (0.41) | HSD17B10ALDH1A1HPGDKDM4EBRD4 | |
| SCHEMBL20674093 | 0.79 | BRD4 (0.44) | HSD17B10ALDH1A1HPGDKDM4EKMT2A | |
| SCHEMBL20673851 | 0.78 | TSHR (0.39) | HSD17B10ALDH1A1HPGDKDM4EKMT2A | |
| SCHEMBL23937642 | 0.76 | BRD4 (0.44) | HSD17B10ALDH1A1HPGDKDM4EKMT2A | |
| SCHEMBL16416280 | 0.67 | GAA (0.39) | HSD17B10ALDH1A1HPGDKDM4EKMT2A | |
| SCHEMBL23937896 | 0.66 | HTR2A (0.33) | HSD17B10ALDH1A1HPGDKDM4EKMT2A | |
| SCHEMBL23937913 | 0.65 | GRM5 (0.41) | HSD17B10ALDH1A1HPGDKDM4EKMT2A | |
| SCHEMBL21958655 | 0.64 | GRM5 (0.40) | HSD17B10ALDH1A1HPGDKDM4EKMT2A | |
| SCHEMBL5514680 | 0.64 | CNR2 (0.73) | CNR2CNR1 | |
| SCHEMBL23937644 | 0.62 | ALDH1A1 (0.40) | HSD17B10ALDH1A1HPGDKDM4EKMT2A |
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 |