Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 4/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL31728075 | 0.79 | EGFR (0.42) | PDE5ALIMK1MAP4K4ALDH1A1EGFR | |
| SCHEMBL26123076 | 0.75 | ALDH1A1 (0.52) | BRD4ALDH1A1TSHRFDPSAOX1 | |
| SCHEMBL24028253 | 0.71 | BRD4 (0.60) | BRD4ALDH1A1EGFR | |
| SCHEMBL26501336 | 0.70 | PDE5A (0.56) | PDE5ALIMK1MAP4K4EGFR | |
| SCHEMBL31728484 | 0.69 | PDE5A (0.46) | PDE5ALIMK1MAP4K4ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL28311213 | 0.69 | PDE5A (0.54) | PDE5ALIMK1MAP4K4EGFR | |
| SCHEMBL2129645 | 0.69 | ALDH1A1 (0.49) | BRD4ALDH1A1TSHRFDPSAOX1 | |
| SCHEMBL31728253 | 0.68 | PDE5A (0.42) | PDE5ALIMK1MAP4K4EGFR | |
| SCHEMBL30514362 | 0.68 | ALDH1A1 (0.65) | ALDH1A1TSHRFDPSAOX1TTR | |
| SCHEMBL4937479 | 0.68 | ALDH1A1 (0.65) | ALDH1A1TSHRFDPSAOX1TTR |
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 |