Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL16201559 | 0.90 | CYP1A2 (0.42) | CYP1A2TDP1ALDH1A1GRIN2DGRIN3B | |
| SCHEMBL15357212 | 0.88 | CYP1A2 (0.45) | CYP1A2TDP1ALDH1A1GRIN2DGRIN3B | |
| SCHEMBL9168661 | 0.87 | CYP1A2 (0.48) | CYP1A2TDP1ALDH1A1GRIN2DGRIN3B | |
| SCHEMBL25212337 | 0.87 | CYP1A2 (0.48) | CYP1A2TDP1ALDH1A1GRIN2DGRIN3B | |
| SCHEMBL8990388 | 0.87 | CYP1A2 (0.48) | CYP1A2TDP1ALDH1A1GRIN2DGRIN3B | |
| SCHEMBL15357214 | 0.85 | CYP1A2 (0.47) | CYP1A2TDP1ALDH1A1GRIN2DGRIN3B | |
| SCHEMBL7592620 | 0.84 | TDP1 (0.50) | CYP1A2TDP1ALDH1A1GRIN2DGRIN3B | |
| SCHEMBL3816541 | 0.81 | TDP1 (0.48) | CYP1A2TDP1ALDH1A1GRIN2DGRIN3B | |
| SCHEMBL4927428 | 0.78 | TDP1 (0.50) | CYP1A2TDP1ALDH1A1GRIN2DGRIN3B | |
| SCHEMBL5160819 | 0.78 | CYP1A2 (0.37) | CYP1A2TDP1ALDH1A1GRIN2DGRIN3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113993872-B | EGFR inhibitors for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2024-09-24 | — | — | CN | disclosed |
| CN-113993872-A | EGFR inhibitors for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2022-01-28 | — | — | CN | disclosed |