Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9704689 | 0.85 | HSP90AA1 (0.46) | HSP90AA1TSHRALDH1A1HSD17B10HPGD | |
| SCHEMBL22232393 | 0.80 | ADRB2 (0.41) | HSP90AA1CYP3A4TSHRALDH1A1HSD17B10 | |
| SCHEMBL14314286 | 0.80 | PARP1 (0.40) | TSHRALDH1A1HSD17B10HPGDKEAP1 | |
| SCHEMBL28604840 | 0.78 | HSP90AA1 (0.43) | HSP90AA1CYP3A4EGFR | |
| SCHEMBL12452253 | 0.76 | NOS3 (0.38) | HSP90AA1CYP3A4TSHRALDH1A1HPGD | |
| SCHEMBL1317752 | 0.76 | ALDH1A1 (0.37) | HSP90AA1CYP3A4TSHRALDH1A1HSD17B10 | |
| SCHEMBL14314312 | 0.75 | PLK1 (0.41) | ALDH1A1HSD17B10HPGDLMNACYP2C9 | |
| SCHEMBL29889875 | 0.74 | ALDH1A1 (0.52) | HSP90AA1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL6565668 | 0.74 | ALDH1A1 (0.52) | HSP90AA1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL29521927 | 0.74 | ALDH1A1 (0.52) | HSP90AA1CYP3A4TSHRALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117430600-A | Selective EGFR inhibitor, preparation method and pharmaceutical application thereof | 上海和誉生物医药科技有限公司 | 2024-01-23 | — | — | CN | disclosed |