Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17988568 | 0.88 | GSTP1 (0.33) | LMNAHTTNR1I2PGRCYP3A4 | |
| SCHEMBL17988537 | 0.86 | HCAR2 (0.34) | HCAR2 | |
| SCHEMBL17988539 | 0.86 | HCAR2 (0.37) | HCAR2LMNAHTT | |
| SCHEMBL17988536 | 0.85 | HCAR2 (0.47) | HCAR2 | |
| SCHEMBL17988532 | 0.83 | HCAR2 (0.35) | HCAR2 | |
| SCHEMBL17988529 | 0.83 | TSHR (0.37) | HCAR2LMNA | |
| SCHEMBL17988549 | 0.82 | HCAR2 (0.32) | HCAR2 | |
| SCHEMBL17988531 | 0.80 | HCAR2 (0.42) | HCAR2LMNACYP3A4CYP2C9SLC6A2 | |
| SCHEMBL18133605 | 0.80 | ATM (0.36) | HCAR2 | |
| SCHEMBL17988538 | 0.79 | HCAR2 (0.49) | HCAR2LMNACYP3A4CYP2C9SLC6A2 |
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-9409872-B1 | Fumarate compounds, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2016-08-09 | — | — | US | disclosed |