Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31192635 | 1.00 | GABRA1 (0.42) | GABRA1GABRB2TAAR1IDO1TSHR | |
| SCHEMBL9016954 | 0.81 | GABRA1 (0.48) | GABRA1GABRB2TAAR1IDO1TSHR | |
| SCHEMBL8974781 | 0.81 | TAAR1 (0.40) | GABRA1GABRB2TAAR1IDO1TSHR | |
| SCHEMBL322857 | 0.79 | — | — | |
| SCHEMBL9313596 | 0.78 | PARP1 (0.41) | GABRA1GABRB2TAAR1IDO1TSHR | |
| SCHEMBL20818578 | 0.78 | TSHR (0.39) | GABRA1GABRB2TAAR1IDO1TSHR | |
| SCHEMBL29900365 | 0.78 | TSHR (0.39) | GABRA1GABRB2TAAR1IDO1TSHR | |
| SCHEMBL29562705 | 0.77 | GABRA1 (0.44) | GABRA1GABRB2TAAR1IDO1TSHR | |
| SCHEMBL305224 | 0.77 | GABRA1 (0.44) | GABRA1GABRB2TAAR1IDO1TSHR | |
| SCHEMBL332641 | 0.76 | TAAR1 (0.35) | GABRA1GABRB2TAAR1IDO1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-20080306190-A1 | Composition of matter based on alkyl benzyl esters | LANXESS DEUTSCHLAND GMBH (DE) | 2008-12-11 | — | — | US | disclosed |