Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21328888 | 0.81 | ALDH1A1 (0.40) | ALDH1A1LMNAKMT2AGPR55KDM4E | |
| SCHEMBL29416474 | 0.81 | ALDH1A1 (0.40) | ALDH1A1LMNAKMT2AGPR55KDM4E | |
| SCHEMBL31729179 | 0.78 | MAP4K4 (0.41) | ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL28501805 | 0.78 | ALDH1A1 (0.37) | ALDH1A1LMNAKMT2AGPR55KDM4E | |
| SCHEMBL31729264 | 0.78 | KDM4E (0.33) | KDM4EEGFR | |
| SCHEMBL26933211 | 0.78 | ALDH1A1 (0.38) | ALDH1A1LMNAKMT2AGPR55KDM4E | |
| SCHEMBL17142264 | 0.74 | ALDH1A1 (0.43) | ALDH1A1LMNAKMT2AKDM4EMAPT | |
| SCHEMBL856383 | 0.73 | PDE4A (0.48) | ALDH1A1LMNAKMT2AGPR55KDM4E | |
| SCHEMBL29460991 | 0.73 | PDE4A (0.48) | ALDH1A1LMNAKMT2AGPR55KDM4E | |
| SCHEMBL16647200 | 0.73 | ALDH1A1 (0.37) | ALDH1A1LMNAKMT2AGPR55KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025235874-A1 | HETEROCYCLICS AS EGFR INHIBITORS | SCHRÖDINGER, INC. (US) | 2025-11-13 | — | — | WO | disclosed |