Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28461467 | 1.00 | CYP1B1 (0.58) | CYP1B1HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL2981331 | 0.89 | MAPT (0.59) | CYP1B1HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28468276 | 0.83 | CYP1B1 (0.51) | CYP1B1HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28468278 | 0.83 | CYP1B1 (0.51) | CYP1B1HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL12144576 | 0.80 | LMNA (0.76) | CYP1B1HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL7167809 | 0.78 | MAPT (0.59) | CYP1B1HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL29466710 | 0.78 | MAPT (0.56) | CYP1B1HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL3469448 | 0.78 | MMP1 (0.60) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL6212312 | 0.77 | CYP1B1 (0.54) | CYP1B1HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL15486079 | 0.77 | MAPT (0.57) | CYP1B1HDAC3HDAC4HDAC1HDAC2 |
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-109970560-B | Preparation method of tri-substituted 1, 3-diene compound | 南京工业大学 | 2020-09-29 | — | — | CN | disclosed |