Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | FABP4 | P15090 | 3/20 | 0.34 |
| ▸ | FABP3 | P05413 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20631118 | 0.94 | CA2 (0.32) | LMNAALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL20631714 | 0.79 | GRM2 (0.32) | — | |
| SCHEMBL23937908 | 0.72 | ALOX5 (0.35) | KDM4E | |
| SCHEMBL23937896 | 0.71 | HTR2A (0.33) | LMNAALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL23937907 | 0.70 | ALOX5 (0.33) | ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL23937917 | 0.68 | HSD17B10 (0.35) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| SCHEMBL23937926 | 0.67 | — | — | |
| SCHEMBL23937643 | 0.66 | KDM4E (0.34) | LMNAALDH1A1NPSR1KDM4EHTT | |
| SCHEMBL23937899 | 0.65 | HSD17B10 (0.33) | ALDH1A1KDM4EHSD17B10CYP2C9 | |
| SCHEMBL23937911 | 0.64 | POLB (0.30) | — |
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 |