Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21776487 | 0.74 | HCAR2 (0.42) | ALOX5KDM4EMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL28487003 | 0.72 | PTGES (0.56) | PTPN1PPARAPPARGALOX5KDM4E | |
| SCHEMBL2859810 | 0.70 | ALOX5 (0.40) | PTPN1PPARAPPARGALOX5MGLL | |
| SCHEMBL11107777 | 0.69 | THRB (0.35) | PPARAPPARGCNR2MAPTNPC1 | |
| SCHEMBL21776486 | 0.67 | PDE3B (0.42) | KDM4EMAPTMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL16666462 | 0.67 | ALOX5 (0.36) | ALOX5ALDH1A1 | |
| SCHEMBL12704738 | 0.67 | MCL1 (0.40) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL8329252 | 0.67 | SMPD1 (0.50) | CNR2MAPT | |
| SCHEMBL2945568 | 0.67 | PPARA (0.77) | PPARAPPARGALOX5PTGS2 | |
| SCHEMBL28598339 | 0.67 | MAOA (0.42) | PPARAPPARGCNR2KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020041851-A2 | PHARMACEUTICAL COMPOSITION, PROCESS FOR OBTAINING AND USING SECONDARY METABOLITES PRODUCED BY THE FUNGUS EXSEROHILUM ROSTRATUM IN CELL REGENERATION | INSTITUTO BUTANTAN (BR) | 2020-03-05 | — | — | WO | disclosed |