Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28053377 | 0.88 | SLC1A1 (0.62) | CA2MAPK1TSHRSLC1A1CA1 | |
| 2-Ethylhexanoic Acid SCHEMBL28067045 | 0.88 | CA2 (0.65) | CA2MAPK1TSHRSLC1A1CA1 | |
| SCHEMBL2352097 | 0.88 | CA2 (0.59) | CA2MAPK1SLC1A1CA1L3MBTL1 | |
| SCHEMBL27668284 | 0.87 | CA2 (0.57) | CA2MAPK1TSHRSLC1A1CA1 | |
| SCHEMBL28017856 | 0.87 | CHRM1 (0.59) | CA2MAPK1TSHRSLC1A1CA1 | |
| SCHEMBL7858108 | 0.85 | CA2 (0.69) | CA2MAPK1TSHRSLC1A1CA1 | |
| SCHEMBL18124224 | 0.84 | CA2 (0.52) | CA2MAPK1TSHRSLC1A1CA1 | |
| SCHEMBL6138555 | 0.84 | TSHR (0.56) | CA2MAPK1TSHRSLC1A1FOLH1 | |
| SCHEMBL28934763 | 0.83 | CA2 (0.57) | CA2MAPK1TSHRCA1L3MBTL1 | |
| SCHEMBL27567072 | 0.81 | CA2 (0.55) | CA2MAPK1TSHRSLC1A1CA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110878019-A | Synthesis method of dicyclohexyl [2.1.1] hexane-1, 4-dicarboxylic acid dimethyl ester | 苏州莱克施德药业有限公司 | 2020-03-13 | — | — | CN | claimed |
| CN-107709295-B | Tricyclic sulfones as ROR gamma modulators | 百时美施贵宝公司 | 2021-05-04 | — | — | CN | disclosed |
| CN-110878019-A | Synthesis method of dicyclohexyl [2.1.1] hexane-1, 4-dicarboxylic acid dimethyl ester | 苏州莱克施德药业有限公司 | 2020-03-13 | — | — | CN | disclosed |
| CN-110878019-A | Synthesis method of dicyclohexyl [2.1.1] hexane-1, 4-dicarboxylic acid dimethyl ester | 苏州莱克施德药业有限公司 | 2020-03-13 | — | — | CN | disclosed |
| CN-110878019-A | Synthesis method of dicyclohexyl [2.1.1] hexane-1, 4-dicarboxylic acid dimethyl ester | 苏州莱克施德药业有限公司 | 2020-03-13 | — | — | CN | disclosed |