Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | CPA1 | P15085 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17688555 | 1.00 | HCAR2 (0.52) | HCAR2KEAP1NFE2L2SMN1; SMN2GFPT1 | |
| SCHEMBL11222703 | 0.81 | ALDH1A1 (0.68) | HCAR2SMN1; SMN2ALDH1A1GAAHTT | |
| SCHEMBL4572574 | 0.81 | ALDH1A1 (0.68) | HCAR2SMN1; SMN2ALDH1A1GAAHTT | |
| SCHEMBL4572573 | 0.81 | ALDH1A1 (0.68) | HCAR2SMN1; SMN2ALDH1A1GAAHTT | |
| SCHEMBL10935338 | 0.81 | ALDH1A1 (0.68) | HCAR2SMN1; SMN2ALDH1A1GAAHTT | |
| SCHEMBL10442657 | 0.81 | HCAR2 (0.48) | HCAR2KEAP1NFE2L2SMN1; SMN2GFPT1 | |
| SCHEMBL9304164 | 0.77 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1GAAMAPTTDP1 | |
| SCHEMBL9304160 | 0.77 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1GAAMAPTTDP1 | |
| SCHEMBL9304167 | 0.77 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1GAAMAPTTDP1 | |
| SCHEMBL23671815 | 0.77 | ALDH1A1 (0.53) | HCAR2KEAP1NFE2L2GFPT1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016061393-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE | XENOPORT, INC. (US) | 2016-04-21 | — | — | WO | claimed |
| WO-2016061393-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE | XENOPORT, INC. (US) | 2016-04-21 | — | — | WO | disclosed |
| WO-2016061393-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE | XENOPORT, INC. (US) | 2016-04-21 | — | — | WO | disclosed |