Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.48 |
| ▸ | CES2 | O00748 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1115274 | 1.00 | CES1 (0.48) | CES1CES2TSHRALDH1A1DAO | |
| Bromoform SCHEMBL27595221 | 0.91 | CES1 (0.41) | CES1CES2TSHRALDH1A1DAO | |
| Chlorobenzene SCHEMBL27467505 | 0.89 | CES2 (0.50) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL7764734 | 0.83 | L3MBTL1 (0.44) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL28014846 | 0.82 | KMO (0.58) | TDP1MAPTLMNAHDAC8GAA | |
| O-Tolylamine SCHEMBL27972421 | 0.82 | TDP1 (0.48) | CES1CES2TSHRALDH1A1TDP1 | |
| SCHEMBL15210061 | 0.81 | CES1 (0.44) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL10594836 | 0.78 | AKR1C3 (0.64) | ALDH1A1SMN1; SMN2KDM4ELMNAHDAC8 | |
| Toluene SCHEMBL9706205 | 0.78 | CES2 (0.43) | CES1CES2TSHRALDH1A1MAPT | |
| SCHEMBL2610974 | 0.76 | CES1 (0.44) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105828609-B | Herbicidal combinations comprising AC 263222, chlorine Fampridine acid and optional metsulfuron-methyl demethylation acid | 美国陶氏益农公司 | 2019-02-15 | — | — | CN | disclosed |