Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.75 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CTRC | Q99895 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9836272 | 0.91 | CYP1A2 (0.68) | CYP1A2PTGS2PTGS1KDM4ELMNA | |
| Tannin Pyrogallol SCHEMBL27591599 | 0.89 | CA1 (0.56) | CYP1A2PTGS2GAACA12CA1 | |
| Sulfuric Acid SCHEMBL28874745 | 0.88 | CYP1A2 (0.71) | CYP1A2PTGS2PTGS1KDM4ELMNA | |
| SCHEMBL4454036 | 0.87 | CYP1A2 (1.00) | CYP1A2KDM4ELMNAGAAL3MBTL1 | |
| SCHEMBL183912 | 0.87 | CYP1A2 (1.00) | CYP1A2KDM4ELMNAGAAL3MBTL1 | |
| Biphenyl SCHEMBL793192 | 0.87 | ALDH1A1 (0.60) | CYP1A2LMNACA12CA1CA2 | |
| Formaldehyde SCHEMBL28416249 | 0.84 | CYP1A2 (0.83) | CYP1A2KDM4ELMNAGAAL3MBTL1 | |
| SCHEMBL3296279 | 0.84 | ALDH1A1 (0.70) | CYP1A2PTGS2PTGS1KDM4ELMNA | |
| Hydrogen Sulfide SCHEMBL7195075 | 0.84 | CYP1A2 (0.94) | CYP1A2KDM4ELMNAGAAL3MBTL1 | |
| Water SCHEMBL10875875 | 0.84 | CYP1A2 (0.94) | CYP1A2KDM4ELMNAGAAL3MBTL1 |
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-105272888-A | Bis-arylalkenylalkyl acid compound, and preparation method and application thereof | SHANGHAI INST MATERIA MEDICA | 2016-01-27 | — | — | CN | disclosed |