Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.57 |
| ▸ | HPGD | P15428 | 5/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 3/20 | 0.48 |
| ▸ | CASP1 | P29466 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 3/20 | 0.42 |
| ▸ | CCND1 | P24385 | 3/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.40 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL555033 | 0.93 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL27560376 | 0.83 | ALDH1A1 (0.64) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL5139143 | 0.83 | ALDH1A1 (0.58) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Benzo[E]Pyrene SCHEMBL4977467 | 0.82 | ALDH1A1 (0.76) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL30021443 | 0.82 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL30302742 | 0.82 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL30303049 | 0.82 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL2591950 | 0.82 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL28424048 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL38654978 | 0.81 | ALDH1A1 (0.67) | ALDH1A1HSD17B10HPGDCYP1A2THRB |
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-110317139-B | Compound, application thereof and organic electroluminescent device containing compound | 北京鼎材科技有限公司 | 2021-04-06 | — | — | CN | disclosed |