Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 4/20 | 0.41 |
| ▸ | CMA1 | P23946 | 2/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27749398 | 0.98 | CYP1A2 (0.48) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL3594861 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL28564523 | 0.79 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL28055007 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL10821051 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL2986085 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL11469390 | 0.77 | KMT2A (0.45) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL11544705 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL6926862 | 0.75 | KMT2A (0.43) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL5610170 | 0.74 | ALDH1A1 (0.61) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-105699582-B | HPLC detection method of 3-aminopiperidine isomer | 河北科技大学 | 2017-05-03 | — | — | CN | disclosed |
| CN-105699582-A | HPLC detection method of 3-aminopiperidine isomer | 河北科技大学 | 2016-06-22 | — | — | CN | disclosed |