Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | NQO1 | P15559 | 4/20 | 0.42 |
| ▸ | POR | P16435 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | EED | O75530 | 4/20 | 0.42 |
| ▸ | SUZ12 | Q15022 | 4/20 | 0.42 |
| ▸ | EZH2 | Q15910 | 4/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | NSD1 | Q96L73 | 2/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5940262 | 0.73 | NQO1 (0.68) | CES1NQO1PORMAPTTDP1 | |
| SCHEMBL13366591 | 0.70 | NQO1 (0.37) | CES1BCHENQO1PORMAPT | |
| SCHEMBL569873 | 0.68 | — | — | |
| SCHEMBL31070117 | 0.68 | — | — | |
| SCHEMBL8035811 | 0.68 | CES1 (0.73) | CES1BCHEMAPTBLMKMT2A | |
| SCHEMBL5507596 | 0.65 | MAOA (0.67) | CES1BCHEMAPTKMT2AMEN1 | |
| SCHEMBL25506823 | 0.65 | KMT2A (0.46) | CES1BCHEMAPTTDP1KMT2A | |
| SCHEMBL28939026 | 0.65 | CES1 (0.55) | CES1BCHEMAPTBLMHDAC6 | |
| SCHEMBL976344 | 0.64 | CES1 (0.67) | CES1BCHEMAPTCES2POLB | |
| SCHEMBL669542 | 0.64 | CES1 (1.00) | CES1BCHEMAPTKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2532390-B1 | Pharmaceutical composition for liver diseases. | MD BIOALPHA CO LTD (KR) | 2016-08-17 | — | — | EP | disclosed |