Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GRN | P28799 | 2/20 | 0.42 |
| ▸ | SORT1 | Q99523 | 2/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | CTSV | O60911 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28138855 | 1.00 | SMYD3 (0.42) | SMYD3KDM4EGRNSORT1NAMPT | |
| Formic Acid SCHEMBL28139471 | 0.86 | NAMPT (0.36) | SMYD3KDM4EGRNSORT1NAMPT | |
| SCHEMBL343503 | 0.86 | GRN (0.53) | SMYD3KDM4EGRNSORT1NAMPT | |
| Hydrochloric Acid SCHEMBL6378087 | 0.85 | GRN (0.51) | SMYD3KDM4EGRNSORT1NAMPT | |
| 3-Chloro-1-Methyl-1H-Pyrazole-5-Carboxylic Acid SCHEMBL27453073 | 0.84 | KDM4E (0.43) | KDM4EGRNSORT1HCAR3CA12 | |
| SCHEMBL17288712 | 0.82 | KDM4E (0.46) | KDM4EGRNSORT1NAMPTHCAR3 | |
| SCHEMBL28138792 | 0.82 | ALDH1A1 (0.43) | KDM4EGRNSORT1CTSVCTSL | |
| SCHEMBL20503261 | 0.81 | KDM4E (0.45) | KDM4EGRNSORT1HCAR3POLB | |
| SCHEMBL2934234 | 0.80 | KDM4E (0.47) | SMYD3KDM4EGRNSORT1NAMPT | |
| SCHEMBL6378085 | 0.75 | SMYD3 (0.50) | SMYD3KDM4EGRNSORT1NAMPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106608872-B | 5- pyrazol acid amide compounds and the preparation method and application thereof | 湖南化工研究院有限公司 | 2019-04-19 | — | — | CN | disclosed |
| CN-106608872-A | 5-pyrazole amide compound, and preparation method and application thereof | 湖南化工研究院有限公司 | 2017-05-03 | — | — | CN | disclosed |