Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A1 | P43005 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28378474 | 0.88 | CA2 (0.59) | SLC1A1CA2MAPK1TSHRCHRM1 | |
| SCHEMBL18124224 | 0.83 | CA2 (0.52) | SLC1A1CA2MAPK1TSHRCHRM1 | |
| SCHEMBL9509840 | 0.83 | CA1 (0.62) | SLC1A1CA2TSHRCA1MEN1 | |
| SCHEMBL27210235 | 0.83 | SLC1A1 (0.49) | SLC1A1CA2TSHRCA1MEN1 | |
| SCHEMBL17860619 | 0.83 | SLC1A1 (0.62) | SLC1A1TSHRFOLH1 | |
| SCHEMBL27674217 | 0.83 | SLC1A1 (0.62) | SLC1A1TSHRCHRM1AKR1A1CHRM3 | |
| SCHEMBL8472489 | 0.82 | FOLH1 (0.63) | SLC1A1TSHRFOLH1 | |
| SCHEMBL2352097 | 0.81 | CA2 (0.59) | SLC1A1CA2MAPK1CA1SLC1A2 | |
| 2-Ethylhexanoic Acid SCHEMBL28067045 | 0.81 | CA2 (0.65) | SLC1A1CA2MAPK1TSHRTDP1 | |
| SCHEMBL4287823 | 0.79 | CA2 (0.52) | SLC1A1CA2MAPK1CHRM1AKR1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117083272-A | 4-alkoxy-6-oxo-pyridazine derivatives that modulate NLRP3 | 詹森药业有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-113677666-A | Substituted bicyclic compounds as farnesoid X receptor modulators | 百时美施贵宝公司 | 2021-11-19 | — | — | CN | disclosed |
| CN-105829288-B | Antibacterial 1H- indazole and 1H- indole derivatives | 爱杜西亚药品有限公司 | 2019-01-15 | — | — | CN | disclosed |
| CN-109180681-A | A kind of DNA toxicity dimer compound | 四川百利药业有限责任公司 | 2019-01-11 | — | — | CN | disclosed |
| CN-105531264-B | Antibacterial 2H-indazole derivatives | 爱杜西亚药品有限公司 | 2018-04-10 | — | — | CN | disclosed |
| CN-104151166-B | A kind of synthesis method containing many ester groups substituted cyclopentanone | 大连大学 | 2016-10-05 | — | — | CN | disclosed |
| CN-105829288-A | Antibacterial 1h-indazole and 1h-indole derivatives | 埃科特莱茵药品有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-105294442-A | Preparation method for bicyclo [1.1.1] pentane-1,3-dicarboxylic acid dimethylester | SHANGHAI SYNTHEALL PHARMACEUTICALS RES CO LTD | 2016-02-03 | — | — | CN | disclosed |
| CN-105294442-A | Preparation method for bicyclo [1.1.1] pentane-1,3-dicarboxylic acid dimethylester | SHANGHAI SYNTHEALL PHARMACEUTICALS RES CO LTD | 2016-02-03 | — | — | CN | disclosed |