Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 8/20 | 0.55 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.55 |
| ▸ | KIF11 | P52732 | 1/20 | 0.52 |
| ▸ | RXRA | P19793 | 2/20 | 0.50 |
| ▸ | RXRB | P28702 | 2/20 | 0.50 |
| ▸ | NQO2 | P16083 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19735289 | 0.96 | KIF11 (0.55) | HSD17B1HSD17B2KIF11RXRARXRB | |
| SCHEMBL26144030 | 0.86 | KIF11 (0.50) | HSD17B1HSD17B2KIF11RXRARXRB | |
| SCHEMBL17994290 | 0.86 | HSD17B1 (0.52) | HSD17B1HSD17B2KIF11NQO2CYP3A4 | |
| SCHEMBL12622623 | 0.85 | KIF11 (0.53) | HSD17B1HSD17B2KIF11RXRARXRB | |
| SCHEMBL779683 | 0.83 | KIF11 (0.70) | KIF11RXRARXRBCYP3A4HDAC4 | |
| SCHEMBL25693197 | 0.81 | KIF11 (0.68) | KIF11RXRARXRBCYP3A4HDAC4 | |
| SCHEMBL5547288 | 0.80 | KIF11 (0.72) | KIF11RXRARXRBHDAC4HDAC2 | |
| SCHEMBL30023786 | 0.80 | KIF11 (0.72) | KIF11RXRARXRBHDAC4HDAC2 | |
| SCHEMBL14190034 | 0.80 | HSD17B1 (0.71) | HSD17B1HSD17B2NQO2CYP3A4CYP2C19 | |
| SCHEMBL27659191 | 0.78 | KIF11 (0.76) | KIF11RXRARXRBHDAC4HDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9960357-B2 | Spiro-type compound and organic light emitting element comprising same | LG CHEM, LTD. (KR) | 2018-05-01 | — | — | US | disclosed |
| US-9960357-B2 | Spiro-type compound and organic light emitting element comprising same | LG CHEM, LTD. (KR) | 2018-05-01 | — | — | US | disclosed |