Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 2/20 | 0.45 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23937714 | 0.83 | METAP2 (0.48) | METAP2PLK1KDM4EPKMCNR1 | |
| SCHEMBL23937803 | 0.81 | KDM4E (0.57) | METAP2PLK1KDM4EPKMCNR1 | |
| SCHEMBL20631757 | 0.76 | PDK2 (0.42) | KDM4EALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL17774766 | 0.74 | ALDH1A1 (0.44) | KDM4EPKMALDH1A1MAPTKMT2A | |
| SCHEMBL3814636 | 0.74 | ALDH1A1 (0.65) | KDM4ECNR1ALDH1A1NPC1MAPT | |
| SCHEMBL20674114 | 0.70 | DHODH (0.40) | KDM4EALDH1A1GAAGLA | |
| SCHEMBL8343253 | 0.70 | POLB (0.58) | KDM4EALDH1A1MAPTKMT2APOLB | |
| SCHEMBL8254227 | 0.70 | ESR1 (0.60) | PLK1KDM4EALDH1A1NPC1MAPT | |
| SCHEMBL24197154 | 0.69 | KDM4E (0.49) | METAP2KDM4EPKMALDH1A1MAPT | |
| SCHEMBL9122105 | 0.68 | KDM4E (0.64) | METAP2KDM4EPKMALDH1A1MAPT |
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 |