Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 16/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 16/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13780632 | 0.84 | HSD17B1 (0.36) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12574380 | 0.84 | HSD17B1 (0.42) | HSD17B1HSD17B2CYP3A4CYP2C19MEN1 | |
| SCHEMBL21763385 | 0.82 | PRF1 (0.45) | HSD17B1HSD17B2CYP3A4MEN1ALDH1A1 | |
| SCHEMBL14542579 | 0.79 | HSD17B1 (0.33) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL19741486 | 0.79 | HSD17B1 (0.56) | HSD17B1HSD17B2CNR1CYP3A4CYP2D6 | |
| SCHEMBL17928755 | 0.78 | CYP3A4 (0.31) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13780634 | 0.75 | APP (0.46) | HSD17B1HSD17B2CYP3A4CYP2C19MEN1 | |
| SCHEMBL13350195 | 0.75 | APP (0.34) | — | |
| SCHEMBL10455681 | 0.75 | HSD17B1 (0.59) | HSD17B1HSD17B2CNR1CYP3A4CYP2D6 | |
| SCHEMBL23048437 | 0.74 | RAB9A (0.40) | HSD17B1HSD17B2CYP3A4CYP2C19MEN1 |
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-2332931-A2 | NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME | LG Chem, Ltd. (KR) | 2011-06-15 | — | — | EP | disclosed |