Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 17/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 2/20 | 0.52 |
| ▸ | CASP7 | P55210 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29701577 | 1.00 | ALDH1A1 (0.57) | ALDH1A1HSD17B10MAPK1TSHRCASP1 | |
| SCHEMBL29100770 | 0.89 | ALDH1A1 (0.56) | ALDH1A1HSD17B10MAPK1TSHRCASP1 | |
| SCHEMBL27180184 | 0.87 | ALDH1A1 (0.57) | ALDH1A1HSD17B10MAPK1TSHRCASP1 | |
| SCHEMBL30465757 | 0.86 | ALDH1A1 (0.56) | ALDH1A1HSD17B10MAPK1TSHRCASP1 | |
| SCHEMBL25284932 | 0.86 | ALDH1A1 (0.56) | ALDH1A1HSD17B10MAPK1TSHRCASP1 | |
| SCHEMBL6250003 | 0.81 | ALDH1A1 (0.62) | ALDH1A1HSD17B10MAPK1TSHRCASP1 | |
| SCHEMBL29487159 | 0.81 | ALDH1A1 (0.62) | ALDH1A1HSD17B10MAPK1TSHRCASP1 | |
| SCHEMBL2209684 | 0.79 | ALDH1A1 (0.67) | ALDH1A1HSD17B10MAPK1TSHRCASP1 | |
| SCHEMBL374339 | 0.79 | ALDH1A1 (0.67) | ALDH1A1HSD17B10MAPK1TSHRCASP1 | |
| SCHEMBL30682699 | 0.78 | ALDH1A1 (0.58) | ALDH1A1HSD17B10MAPK1TSHRCASP1 |
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-116981667-A | Heterocyclic inhibitors of EGFR and/or HER2 for cancer treatment | 蝎子疗法股份有限公司 | 2023-10-31 | — | — | CN | disclosed |