Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | ATM | Q13315 | 3/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.62 |
| ▸ | GPR3 | P46089 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | CASP1 | P29466 | 3/20 | 0.50 |
| ▸ | CASP7 | P55210 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.50 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 3/20 | 0.47 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.47 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21302944 | 0.89 | AHR (0.55) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| Fluoranthene SCHEMBL28873730 | 0.88 | AHR (0.55) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL17314978 | 0.87 | AHR (0.57) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| Pyrene SCHEMBL2127931 | 0.85 | ALDH1A1 (0.67) | ALDH1A1HSD17B10TSHRATMGPR3 | |
| Carbazole SCHEMBL7171558 | 0.85 | ALDH1A1 (0.67) | ALDH1A1HSD17B10ATMGPR3HPGD | |
| Carbazole SCHEMBL18836424 | 0.83 | PARP1 (0.69) | ALDH1A1HSD17B10ATMGPR3HPGD | |
| SCHEMBL21302945 | 0.83 | PARP1 (0.51) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| Benzanthrone SCHEMBL1899312 | 0.83 | PABPC1 (0.66) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL1326375 | 0.83 | IMPDH2 (0.61) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL866840 | 0.83 | IMPDH2 (0.61) | ALDH1A1HSD17B10MAPK1TSHRATM |
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-109776542-A | A kind of electroluminescent organic material and its application | 北京鼎材科技有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-109553620-A | General formula compound and organic electroluminescence device | 北京鼎材科技有限公司 | 2019-04-02 | — | — | CN | disclosed |