Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.50 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.50 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.50 |
| ▸ | TGM2 | P21980 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP3 | P08254 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11862689 | 0.84 | NPSR1 (0.55) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL2051018 | 0.83 | TGM2 (0.52) | PDK1PDK2PDK3PDK4TGM2 | |
| SCHEMBL11869894 | 0.81 | RAB9A (0.56) | ALDH1A1L3MBTL1MAPTGAARAB9A | |
| SCHEMBL11871002 | 0.81 | MAPK1 (0.43) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL16847314 | 0.80 | PDK1 (0.50) | PDK1PDK2PDK3PDK4TGM2 | |
| SCHEMBL10530099 | 0.80 | ALDH1A1 (0.51) | PDK1PDK2PDK3PDK4TGM2 | |
| SCHEMBL11866396 | 0.80 | KDM4E (0.43) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL11864542 | 0.79 | MAPT (0.41) | TGM2MMP1MMP2MMP3ALDH1A1 | |
| SCHEMBL750651 | 0.79 | RIPK1 (0.59) | PDK1PDK2PDK3PDK4MMP8 | |
| SCHEMBL8321463 | 0.79 | PDK1 (0.61) | PDK1PDK2PDK3PDK4MMP8 |
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-115894323-A | Method for self-cyclizing cyanation of enaminoaniline compound | 湖北工业大学 | 2023-04-04 | — | — | CN | disclosed |