Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP1A | P62942 | 9/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18009303 | 0.89 | FKBP1A (0.43) | FKBP1AHCAR2CTSLCYP2C9CYP2C19 | |
| SCHEMBL18009190 | 0.84 | MMP2 (0.46) | MMP2ALDH1A1 | |
| SCHEMBL18009336 | 0.82 | MMP2 (0.42) | MMP2HCAR2ALDH1A1 | |
| SCHEMBL7442102 | 0.81 | FKBP1A (0.42) | FKBP1AMMP2ALDH1A1 | |
| SCHEMBL7442095 | 0.81 | FKBP1A (0.42) | FKBP1AMMP2ALDH1A1 | |
| SCHEMBL18009458 | 0.81 | MMP2 (0.54) | MMP2HCAR2ALDH1A1 | |
| SCHEMBL18009283 | 0.79 | ALDH1A1 (0.40) | MMP2ALDH1A1TSHR | |
| SCHEMBL18009450 | 0.78 | ATM (0.47) | MMP2HCAR2ALDH1A1 | |
| SCHEMBL11264038 | 0.78 | FKBP1A (0.53) | FKBP1AALDH1A1TSHR | |
| SCHEMBL7444515 | 0.77 | POLB (0.52) | FKBP1AMMP2ALDH1A1POLB |
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 |