Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.43 |
| ▸ | CES2 | O00748 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27538170 | 1.00 | CES1 (0.43) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL7136968 | 0.83 | CES1 (0.45) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL80355 | 0.78 | CES1 (0.48) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL11775078 | 0.78 | CES1 (0.41) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL28632577 | 0.76 | CES1 (0.46) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL6935566 | 0.74 | CES1 (0.38) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL25226099 | 0.73 | CES1 (0.44) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL11789755 | 0.72 | RAB9A (0.50) | ALDH1A1L3MBTL1MAPTCA2CA1 | |
| SCHEMBL8670411 | 0.72 | CES1 (0.48) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL451153 | 0.72 | APP (0.39) | CES1CES2TSHRALDH1A1DAO |
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-116641127-A | Melt method growth device and method for organic scintillator single crystal | 中国科学院合肥物质科学研究院 | 2023-08-25 | — | — | CN | disclosed |
| CN-116641127-A | Melt method growth device and method for organic scintillator single crystal | 中国科学院合肥物质科学研究院 | 2023-08-25 | — | — | CN | disclosed |