Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.46 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | RNASEL | Q05823 | 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 | |
|---|---|---|---|---|
| SCHEMBL15888322 | 0.91 | HDAC1 (0.48) | HDAC1S1PR2S1PR1S1PR3LPAR2 | |
| SCHEMBL14793908 | 0.82 | TSHR (0.41) | HDAC1PPARACLK1RAB9ATSHR | |
| SCHEMBL14793756 | 0.80 | MEN1 (0.45) | HDAC1RAB9ATSHRTDP1L3MBTL1 | |
| SCHEMBL17433717 | 0.77 | HDAC1 (0.49) | HDAC1S1PR1PPARACLK1 | |
| SCHEMBL17149289 | 0.77 | TSHR (0.46) | RAB9ATSHRTDP1L3MBTL1LMNA | |
| SCHEMBL25539082 | 0.77 | ESR1 (0.46) | CLK1RAB9ATSHRTDP1L3MBTL1 | |
| SCHEMBL25539085 | 0.77 | LMNA (0.53) | CLK1RAB9ATSHRTDP1L3MBTL1 | |
| SCHEMBL17486375 | 0.74 | HDAC1 (0.48) | HDAC1S1PR1PPARACLK1 | |
| SCHEMBL15698895 | 0.74 | CLK1 (0.43) | CLK1RAB9ATSHRTDP1L3MBTL1 | |
| SCHEMBL17449944 | 0.73 | KDM4E (0.49) | S1PR2S1PR1S1PR3LPAR2LTA4H |
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-2014142219-A1 | GUANIDINOBENZOIC ACID ESTER COMPOUND | アステラス製薬株式会社 (JP) | 2014-09-18 | — | — | WO | disclosed |