Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 4/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| 1,4-Dichlorobenzene SCHEMBL10839178 | 0.90 | CYP2A6 (0.61) | CYP2A6LMNAALDH1A1ALOX15KMT2A | |
| SCHEMBL197605 | 0.90 | — | — | |
| Fluoride SCHEMBL2941684 | 0.87 | CYP2A6 (0.57) | CYP2A6LMNAALDH1A1ALOX15KMT2A | |
| Water SCHEMBL15842032 | 0.87 | — | — | |
| SCHEMBL231632 | 0.87 | — | — | |
| Magnesium SCHEMBL30533117 | 0.87 | — | — | |
| SCHEMBL11575659 | 0.87 | — | — | |
| SCHEMBL28501382 | 0.85 | CYP2A6 (0.47) | CYP2A6LMNAALDH1A1ALOX15KMT2A | |
| Acetic Acid SCHEMBL7439099 | 0.84 | ALDH1A1 (0.50) | LMNAALDH1A1ALOX15KMT2AMEN1 | |
| Methyl Alcohol SCHEMBL5898895 | 0.83 | CYP2A6 (0.73) | CYP2A6ALDH1A1ALOX15CES2CES1 |
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-104744227-A | 5-bromine-2-chlorobenzaldehyde preparation method | PORTON FINE CHEMICALS LTD | 2015-07-01 | — | — | CN | claimed |
| CN-104817441-A | Synthesis method for oxidation of benzyl alcohol through gold catalysis | UNIV SHENYANG PHARMACEUTICAL | 2015-08-05 | — | — | CN | disclosed |
| CN-103450171-B | Novel immune adjustment compound, application thereof and medicine combination comprising same | SUZHOU CONNECT BIOPHARMACEUTICALS LTD | 2015-07-08 | — | — | CN | disclosed |
| CN-104744227-A | 5-bromine-2-chlorobenzaldehyde preparation method | PORTON FINE CHEMICALS LTD | 2015-07-01 | — | — | CN | disclosed |
| CN-103450171-A | Novel immune adjustment compound, application thereof and medicine combination comprising same | SUZHOU KANGNAIDE BIO PHARMACEUTICAL CO LTD | 2013-12-18 | — | — | CN | disclosed |
| CN-103214471-A | Novel compound | MITSUBISHI TANABE PHARMA CORP | 2013-07-24 | — | — | CN | disclosed |
| CN-100348569-C | Induction of apoptosis in cancer cells | BURNHAM INST (US) | 2007-11-14 | — | — | CN | disclosed |
| CN-1829729-A | Novel compounds | TANABE SEIYAKU CO (JP) | 2006-09-06 | — | — | CN | disclosed |
| CN-1659130-A | Induction of apoptosis in cancer cells | BURNHAM INST (US) | 2005-08-24 | — | — | CN | disclosed |