Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28825924 | 0.83 | CYP2D6 (0.37) | CYP2D6ATML3MBTL1KMT2ARIPK1 | |
| SCHEMBL11476137 | 0.83 | CYP2D6 (0.41) | CYP2D6ATML3MBTL1KMT2ARIPK1 | |
| SCHEMBL10433996 | 0.79 | CYP2C19 (0.37) | CYP2D6KMT2ARIPK1SLC6A4SLC6A3 | |
| SCHEMBL1716440 | 0.79 | CYP2D6 (0.43) | CYP2D6ATML3MBTL1KMT2ASRC | |
| SCHEMBL3262986 | 0.79 | CYP2D6 (0.34) | CYP2D6ATML3MBTL1KMT2ARIPK1 | |
| SCHEMBL24723643 | 0.79 | RIPK1 (0.35) | CYP2D6ATML3MBTL1KMT2ARIPK1 | |
| SCHEMBL11112508 | 0.78 | FFAR2 (0.42) | KMT2ASLC6A4SLC6A3SLC6A2AOC3 | |
| SCHEMBL6841869 | 0.77 | RIPK1 (0.39) | ATML3MBTL1RIPK1SLC6A4SLC6A3 | |
| SCHEMBL1225030 | 0.77 | CYP2D6 (0.39) | CYP2D6KMT2ATAAR1HTR2ASRC | |
| SCHEMBL27081817 | 0.75 | RIPK1 (0.36) | CYP2D6RIPK1SLC6A3TAAR1HTR2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106348990-B | A method of synthesis 1,2,2- triaryl ethyl ketone and its derivative | 兰州大学 | 2019-10-18 | — | — | CN | claimed |
| CN-106348990-B | A method of synthesis 1,2,2- triaryl ethyl ketone and its derivative | 兰州大学 | 2019-10-18 | — | — | CN | disclosed |
| CN-110204486-A | A kind of synthetic method of quinoline | 江南大学 | 2019-09-06 | — | — | CN | disclosed |
| CN-106669828-A | Preparation method of catalyst applied to alkylation reaction of toluene and tertiary butanol | 宣城市聚源精细化工有限公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-106348990-A | Method for synthesizing 1,2,2-triaryl ethyl ketone and derivatives thereof | 兰州大学 | 2017-01-25 | — | — | CN | disclosed |
| CN-103274890-B | A kind of continuous production processes of p-tert-butyltoluene | 菏泽远东强亚化工科技有限公司 | 2016-07-20 | — | — | CN | disclosed |
| CN-105669342-A | Method of synthesizing p-tert-butyl toluene with caprolactam ionic liquid as catalyst | 中国石油大学(华东) | 2016-06-15 | — | — | CN | disclosed |