Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | PPIA | P62937 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1306347 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TDP1GPR3HTR2AHDAC3 | |
| SCHEMBL10681964 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TDP1NCOR2CYP1A2CYP3A4 | |
| SCHEMBL12017105 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP1A2CYP2C19LMNA | |
| SCHEMBL2059332 | 0.80 | TDP1 (0.44) | ALDH1A1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31621090 | 0.78 | ALDH1A1 (0.35) | ALDH1A1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6142061 | 0.77 | ALDH1A1 (0.34) | ALDH1A1LMNAMAPK1KMT2ANPSR1 | |
| SCHEMBL5031732 | 0.77 | ALDH1A1 (0.46) | ALDH1A1PPIALMNAPOLBKMT2A | |
| SCHEMBL3192408 | 0.76 | ALDH1A1 (0.51) | ALDH1A1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1127867 | 0.76 | MAOA (0.48) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL28454918 | 0.76 | HTR2A (0.48) | HTR2AHDAC4HDAC7HDAC5 |
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-118091001-A | High-flux high-sensitivity qualitative and quantitative analysis method for organic components of solid sample | 北京大学 | 2024-05-28 | — | — | CN | disclosed |