Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17695739 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KDM4ELMNASMN1; SMN2HCAR2 | |
| SCHEMBL17695730 | 0.98 | ALDH1A1 (0.51) | ALDH1A1KDM4ELMNASMN1; SMN2HCAR2 | |
| SCHEMBL8016512 | 0.93 | LMNA (0.55) | ALDH1A1KDM4ELMNASMN1; SMN2HCAR2 | |
| SCHEMBL17695736 | 0.93 | LMNA (0.55) | ALDH1A1KDM4ELMNASMN1; SMN2HCAR2 | |
| SCHEMBL544702 | 0.93 | ATM (0.55) | ALDH1A1KDM4ELMNASMN1; SMN2HCAR2 | |
| SCHEMBL543769 | 0.93 | ATM (0.55) | ALDH1A1KDM4ELMNASMN1; SMN2HCAR2 | |
| SCHEMBL543771 | 0.93 | ATM (0.55) | ALDH1A1KDM4ELMNASMN1; SMN2HCAR2 | |
| SCHEMBL11251326 | 0.91 | ATM (0.57) | ALDH1A1KDM4ELMNASMN1; SMN2HCAR2 | |
| SCHEMBL12215794 | 0.87 | ATM (0.61) | ALDH1A1HCAR2ATMKEAP1NFE2L2 | |
| SCHEMBL13296108 | 0.87 | ATM (0.61) | ALDH1A1HCAR2ATMKEAP1NFE2L2 |
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-2016061393-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE | XENOPORT, INC. (US) | 2016-04-21 | — | — | WO | disclosed |