Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | PRKCI | P41743 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8724864 | 0.87 | HDAC3 (0.53) | CYP2A6HSD17B1HSD17B2HDAC3HDAC4 | |
| SCHEMBL8406452 | 0.87 | HDAC3 (0.53) | CYP2A6HSD17B1HSD17B2HDAC3HDAC4 | |
| SCHEMBL7751921 | 0.84 | MAPT (0.56) | HSD17B1HSD17B2HDAC3HDAC4HDAC1 | |
| SCHEMBL30393125 | 0.79 | CYP2A6 (0.48) | CYP2A6HSD17B1HSD17B2KDM4ELMNA | |
| SCHEMBL9696779 | 0.78 | CYP2A6 (0.57) | CYP2A6HSD17B1HSD17B2HDAC1CYP3A4 | |
| SCHEMBL9193008 | 0.76 | CYP2A6 (0.50) | CYP2A6HSD17B1HSD17B2KDM4ELMNA | |
| SCHEMBL9199257 | 0.76 | NOTUM (0.64) | CYP2A6HSD17B1HSD17B2HDAC3HDAC4 | |
| SCHEMBL13035389 | 0.73 | CYP2A6 (1.00) | CYP2A6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16767800 | 0.73 | KIF11 (0.52) | CYP2A6HSD17B1HSD17B2HDAC3HDAC4 | |
| SCHEMBL9103132 | 0.73 | CYP17A1 (0.53) | CYP2A6HDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113292514-B | Piperazine derivative and organic photoelectric device comprising same | 浙江华显光电科技有限公司 | 2022-11-15 | — | — | CN | disclosed |