Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.74 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL11874114 | 0.89 | TP53 (0.93) | TP53CYP2A6CYP1A2ALDH1A1CYP3A4 | |
| Ethylbenzene SCHEMBL27533703 | 0.89 | TP53 (0.93) | TP53CYP2A6CYP1A2ALDH1A1CYP3A4 | |
| Ethylbenzene SCHEMBL2091056 | 0.89 | — | — | |
| Ethylbenzene SCHEMBL28073274 | 0.87 | TP53 (0.70) | TP53CYP2A6CYP1A2ALDH1A1CYP1A1 | |
| Ethylbenzene SCHEMBL27390450 | 0.87 | TP53 (0.70) | TP53CYP2A6CYP1A2ALDH1A1CYP1A1 | |
| Ethylbenzene SCHEMBL27561282 | 0.87 | TP53 (0.70) | TP53CYP2A6CYP1A2ALDH1A1CYP1A1 | |
| Ethylbenzene SCHEMBL27500749 | 0.86 | TP53 (0.88) | TP53CYP2A6CYP1A2ALDH1A1CYP3A4 | |
| Ethylbenzene SCHEMBL28193346 | 0.86 | TP53 (0.88) | TP53CYP2A6CYP1A2ALDH1A1CYP3A4 | |
| Ethylbenzene SCHEMBL27427298 | 0.86 | TP53 (0.88) | TP53CYP2A6CYP1A2ALDH1A1CYP3A4 | |
| Ethylbenzene SCHEMBL27907671 | 0.86 | TP53 (0.88) | TP53CYP2A6CYP1A2ALDH1A1CYP3A4 |
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-101148504-A | Method for preparing polyepoxy alkane with middle or low molecular weight | SHANGHAI CHEMICAL INST (CN) | 2008-03-26 | — | — | CN | claimed |
| CN-103342662-B | Method for synthesizing 2-alkylphenylacetonitrile | NANTONG GOOD IDEA CHEMICAL TECHNOLOGY CO LTD | 2015-01-14 | — | — | CN | disclosed |
| CN-103342662-A | Method for synthesizing 2-alkylphenylacetonitrile | NANTONG GOOD IDEA CHEMICAL TECHNOLOGY CO LTD | 2013-10-09 | — | — | CN | disclosed |
| CN-101565388-B | Preparation method of 2-aryl propionitrile compounds | UNIV EAST CHINA NORMAL | 2012-03-07 | — | — | CN | disclosed |
| CN-101565388-A | Preparation method of 2-aryl propionitrile compounds | UNIV EAST CHINA NORMAL (CN) | 2009-10-28 | — | — | CN | disclosed |
| CN-101148503-A | Preparation method of catalyst for ethylene oxide polymerization | SHANGHAI CHEMICAL ACADEMY (CN) | 2008-03-26 | — | — | CN | disclosed |
| CN-101148504-A | Method for preparing polyepoxy alkane with middle or low molecular weight | SHANGHAI CHEMICAL INST (CN) | 2008-03-26 | — | — | CN | disclosed |
| CN-1310967-C | Catalyst component for olefin polymerization reaction and its catalyst | CHINA PETROCHEMICAL CORP (CN) | 2007-04-18 | — | — | CN | disclosed |
| CN-1715301-A | Catalyst component for olefin polymerization reaction and its catalyst | CHINA PETROCHEMICAL CORP (CN) | 2006-01-04 | — | — | CN | disclosed |