Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.70 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | UNG | P13051 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL28162858 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP2A6EGFRTSHRTRPA1 | |
| Benzaldehyde SCHEMBL4366084 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP2A6TSHRTRPA1LMNA | |
| Acetonitrile SCHEMBL27804777 | 0.87 | CYP2A6 (0.57) | ALDH1A1CYP2A6EGFRTSHRTYR | |
| Benzaldehyde SCHEMBL9499030 | 0.87 | — | — | |
| Benzaldehyde SCHEMBL28057805 | 0.87 | ALDH1A1 (0.93) | ALDH1A1CYP2A6EGFRTSHRTRPA1 | |
| Benzaldehyde SCHEMBL11225892 | 0.87 | ALDH1A1 (0.93) | ALDH1A1CYP2A6EGFRTSHRTRPA1 | |
| Benzaldehyde SCHEMBL4798424 | 0.87 | ALDH1A1 (0.93) | ALDH1A1CYP2A6EGFRTSHRTRPA1 | |
| Benzaldehyde SCHEMBL28124355 | 0.87 | ALDH1A1 (0.93) | ALDH1A1CYP2A6EGFRTSHRTRPA1 | |
| Benzoic Acid SCHEMBL17004003 | 0.86 | ALDH1A1 (0.59) | ALDH1A1CYP2A6EGFRTSHRLMNA | |
| Benzaldehyde SCHEMBL28122386 | 0.85 | ALDH1A1 (0.70) | ALDH1A1CYP2A6EGFRTSHRTRPA1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105622486-A | Diindolylmethane compound as well as synthesis method and application thereof | NANJING POLYTECHNIC INST | 2016-06-01 | — | — | CN | claimed |
| CN-109251153-B | Synthetic method of cinnamonitrile | 新昌县泰如科技有限公司 | 2021-06-29 | — | — | CN | disclosed |
| CN-109503586-B | Dihydropteridinone BRD4 protein inhibitor, preparation method and application thereof | 郑州大学 | 2021-05-07 | — | — | CN | disclosed |
| CN-112438951-A | Method for preparing isoniazid preparation and preparation thereof | 重庆华邦制药有限公司 | 2021-03-05 | — | — | CN | disclosed |
| CN-109503586-A | A kind of dihydropteridine ketone BRD4 protein inhibitor, preparation method and applications | 郑州大学 | 2019-03-22 | — | — | CN | disclosed |
| CN-109415334-A | Process for producing 1, 3-dioxane-5-one | 花王株式会社 | 2019-03-01 | — | — | CN | disclosed |
| CN-105622486-A | Diindolylmethane compound as well as synthesis method and application thereof | NANJING POLYTECHNIC INST | 2016-06-01 | — | — | CN | disclosed |
| WO-2007139240-A1 | 7-(3,4-DIALKOXYPHENYL)-PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS, PROCESS FOR PREPARING THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ARTHRITIS, ATOPIC DERMATITIS, TUMOR AND DEGENERATIVE BRAIN DISEASES COMPRISING THE SAME | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2007-12-06 | — | — | WO | disclosed |