Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | CYP46A1 | Q9Y6A2 | 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 | |
|---|---|---|---|---|
| SCHEMBL31729065 | 0.85 | CDC7 (0.32) | CDC7ALOX5ALOX5APFEN1 | |
| SCHEMBL31729373 | 0.81 | PIK3CD (0.35) | PARP1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL31729431 | 0.74 | CDC7 (0.49) | PARP1CDC7TGFBR1 | |
| SCHEMBL31728685 | 0.72 | TNK2 (0.45) | — | |
| SCHEMBL31728461 | 0.71 | CSNK1D (0.43) | — | |
| SCHEMBL29545339 | 0.71 | EGFR (0.34) | — | |
| SCHEMBL17129121 | 0.65 | RIPK3 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19TGFBR1 | |
| SCHEMBL29544550 | 0.65 | CDC7 (0.36) | PARP1CDC7CYP46A1 | |
| SCHEMBL17129195 | 0.64 | PARP1 (0.37) | PARP1CDC7 | |
| SCHEMBL29545759 | 0.63 | CDC7 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19CDC7 |
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-2025235872-A1 | HETEROCYCLICS AS EGFR INHIBITORS | SCHRÖDINGER, INC. (US) | 2025-11-13 | — | — | WO | disclosed |