Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 2/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23937886 | 0.96 | KDM4E (0.44) | KDM4EL3MBTL1NPC1ALDH1A1HPGD | |
| SCHEMBL14752475 | 0.76 | PARP1 (0.43) | KDM4EL3MBTL1NPC1ALDH1A1HPGD | |
| SCHEMBL14752431 | 0.74 | PARP1 (0.42) | KDM4EL3MBTL1NPC1ALDH1A1HPGD | |
| SCHEMBL20631147 | 0.74 | LMNA (0.33) | KMT2ALMNAGAA | |
| SCHEMBL20631125 | 0.74 | GAA (0.39) | KMT2APOLBCYP1A2GAAHTR6 | |
| SCHEMBL25772021 | 0.72 | KDM4E (0.40) | KDM4EL3MBTL1NPC1ALDH1A1HPGD | |
| SCHEMBL25796237 | 0.72 | KDM4E (0.40) | KDM4EL3MBTL1NPC1ALDH1A1HPGD | |
| SCHEMBL23937897 | 0.72 | PARP1 (0.33) | PARP1 | |
| SCHEMBL20631124 | 0.72 | LMNA (0.36) | ALDH1A1MAPTLMNAHTTCYP1A2 | |
| SCHEMBL20631137 | 0.72 | GRIA2 (0.38) | L3MBTL1KMT2APOLBMAPTTDP1 |
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 |