Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL27443716 | 0.96 | ALDH1A1 (0.47) | CNR2TSHRTP53CYP3A4MAPK1 | |
| Acetic Acid Propyl Ester SCHEMBL27803486 | 0.91 | LMNA (0.43) | CNR2ALDH1A1LMNASCN1ASCN2A | |
| Ethyl Acetate SCHEMBL27263183 | 0.85 | CDC7 (0.45) | CYP3A4ALDH1A1LMNADHODHKDM4E | |
| Ethyl Acetate SCHEMBL27447758 | 0.84 | CDC7 (0.44) | CYP3A4ALDH1A1LMNADHODHKDM4E | |
| Ethyl Acetate SCHEMBL27778289 | 0.84 | CDC7 (0.44) | CYP3A4ALDH1A1LMNADHODHKDM4E | |
| Butyl Alcohol SCHEMBL28084398 | 0.82 | CNR2 (0.47) | CNR2TSHRALDH1A1LMNASOAT1 | |
| Toluene SCHEMBL28297068 | 0.82 | CDC7 (0.45) | CYP3A4MAPK1ALDH1A1LMNADHODH | |
| Acetic Acid SCHEMBL27690930 | 0.80 | DHODH (0.49) | CNR2TSHRCYP3A4ALDH1A1LMNA | |
| E1501 SCHEMBL28758534 | 0.80 | ALDH1A1 (0.61) | MAPK1ALDH1A1LMNADHODHTDP1 | |
| Acetic Acid Methyl Ester SCHEMBL27352057 | 0.79 | DHODH (0.51) | TSHRALDH1A1LMNADHODHKDM4E |
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-202478927-U | Reaction kettle used for producing n-amyl acetate | CHANGZHOU SONGSHENG PERFUME CO LTD | 2012-10-10 | — | — | CN | disclosed |