Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL28166789 | 1.00 | MAPK1 (0.38) | MAPK1ALDH1A1CYP1A2CHRM2CHRM1 | |
| Pentane SCHEMBL8722577 | 0.92 | MAPK1 (0.46) | MAPK1ALDH1A1CYP1A2CHRM2CHRM1 | |
| Pentane SCHEMBL28256229 | 0.92 | MAPK1 (0.46) | MAPK1ALDH1A1CYP1A2CHRM2CHRM1 | |
| Hexane SCHEMBL28369310 | 0.89 | GNAI3 (0.45) | MAPK1ALDH1A1CYP1A2CHRM2CHRM1 | |
| Hexane SCHEMBL28257785 | 0.89 | GNAI3 (0.45) | MAPK1ALDH1A1CYP1A2CHRM2CHRM1 | |
| SCHEMBL4622 | 0.87 | — | — | |
| SCHEMBL1221354 | 0.87 | — | — | |
| SCHEMBL20614479 | 0.87 | CA12 (0.45) | ALDH1A1CA12CA7CA14SMN1; SMN2 | |
| SCHEMBL8136165 | 0.87 | — | — | |
| SCHEMBL2123718 | 0.87 | CA12 (0.45) | ALDH1A1CA12CA7CA14SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108993585-A | A kind of bifunctional catalyst and preparation method thereof of the molecular sieve of EUO containing multi-stage porous | 中触媒新材料股份有限公司 | 2018-12-14 | — | — | CN | claimed |
| CN-108946756-A | A kind of multi-stage porous EUO structure molecular screen and its synthetic method | 中触媒新材料股份有限公司 | 2018-12-07 | — | — | CN | claimed |
| CN-107001057-B | Use the zeolite of organic -1- oxa- -4- azo-cycle hexane compound | 环球油品公司 | 2019-11-05 | — | — | CN | disclosed |