Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL18007436 | 0.86 | ALDH1A1 (0.36) | KDM4ETDP1ALDH1A1HPGDKEAP1 | |
| SCHEMBL18009386 | 0.84 | ALDH1A1 (0.35) | KDM4ETDP1ALDH1A1HPGDKEAP1 | |
| SCHEMBL18009283 | 0.81 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL18007444 | 0.81 | TSHR (0.41) | ALDH1A1HPGDSMN1; SMN2TSHR | |
| SCHEMBL18009294 | 0.80 | MMP2 (0.46) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL18009292 | 0.77 | PIK3CD (0.41) | ALDH1A1SMN1; SMN2ABCB1TSHR | |
| SCHEMBL18009300 | 0.76 | PIK3CD (0.42) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL18009297 | 0.76 | MAPT (0.40) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL18009461 | 0.75 | PIK3CD (0.40) | ALDH1A1SMN1; SMN2ABCB1TSHR | |
| SCHEMBL18007451 | 0.74 | PIK3CD (0.39) | ALDH1A1SMN1; SMN2ABCB1TSHR |
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-2016127186-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-08-11 | — | — | WO | disclosed |