Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.73 |
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6171178 | 0.88 | CES1 (0.64) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL524182 | 0.86 | CES1 (0.61) | CES1CES2TSHRALDH1A1DAO | |
| Benzene SCHEMBL27672585 | 0.84 | CES1 (1.00) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL33083 | 0.84 | CES1 (1.00) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL583437 | 0.83 | CES1 (0.57) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL29393401 | 0.82 | CES1 (0.95) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL29035921 | 0.82 | CES1 (0.70) | CES1CES2TSHRALDH1A1DAO | |
| Fluoride SCHEMBL27824066 | 0.82 | CES1 (0.95) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL31083855 | 0.82 | CES1 (0.95) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL1743416 | 0.82 | CES1 (0.70) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109942459-B | Method for synthesizing 3-difluoromethyl-3-acrylonitrile compounds | 南京理工大学 | 2022-06-24 | — | — | CN | disclosed |
| CN-114307890-A | Bamboo capsule and preparation method and application thereof | 中国林业科学研究院木材工业研究所 | 2022-04-12 | — | — | CN | disclosed |
| US-6174628-B1 | ELECTROLYTE HAS HIGH POLARITY, HIGH RESISTANCE TO OXIDATION AND FLAME RETARDANCE, AND THUS POSSESSES EXCELLENT CHARACTERISTICS AS THE ELECTROLYTE FOR ELECTRIC ENERGY GENERATORS | DAIKIN INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0948073-A1 | ELECTROLYTIC SOLUTION AND DEVICE FOR GENERATING ELECTRIC ENERGY THEREWITH | Daikin Industries, Ltd. (JP) | 1999-10-06 | — | — | EP | disclosed |