Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | MMP12 | P39900 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1658 | 1.00 | — | — | |
| Water SCHEMBL571469 | 0.96 | — | — | |
| Sulfur Dioxide SCHEMBL10838367 | 0.89 | — | — | |
| SCHEMBL5754147 | 0.72 | — | — | |
| Acetone SCHEMBL28589505 | 0.70 | — | — | |
| SCHEMBL1276127 | 0.67 | — | — | |
| SCHEMBL2401765 | 0.67 | KDM4E (0.54) | NFKB1KDM4ECA2PTGS1MMP12 | |
| Acetohydroxamic Acid SCHEMBL14492 | 0.67 | — | — | |
| Diacetamide SCHEMBL97089 | 0.67 | — | — | |
| SCHEMBL20411614 | 0.67 | — | — |
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-105017172-A | Halogenous photoactive 2-carbonyl-1,3-oxazine compound and preparation method therefor and application thereof | CHINESE ACAD INST CHEMISTRY | 2015-11-04 | — | — | CN | claimed |