Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAN2A1 | Q16706 | 1/20 | 0.35 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2898487 | 0.75 | CYP2D6 (0.41) | ALDH1A1KDM4ETDP1CYP2D6ADRB2 | |
| SCHEMBL17830453 | 0.75 | TAAR1 (0.54) | ALDH1A1KDM4ETDP1 | |
| SCHEMBL12000666 | 0.75 | TDP1 (0.43) | ALDH1A1KDM4ETDP1CYP2C19CYP2D6 | |
| SCHEMBL22458610 | 0.73 | SIGMAR1 (0.40) | ALDH1A1KDM4ETDP1CYP2C19CYP2D6 | |
| SCHEMBL6200772 | 0.73 | CES1 (0.44) | ALDH1A1KDM4ETDP1CYP2C19CYP2D6 | |
| SCHEMBL11191848 | 0.71 | CYP1A2 (0.44) | ALDH1A1KDM4ETDP1CYP2C19CYP2D6 | |
| SCHEMBL5161709 | 0.71 | TSHR (0.46) | ALDH1A1KDM4ECYP2C19CYP2D6HSD17B10 | |
| SCHEMBL4295864 | 0.71 | TSHR (0.46) | ALDH1A1KDM4ECYP2C19CYP2D6HSD17B10 | |
| SCHEMBL5163676 | 0.71 | TSHR (0.46) | ALDH1A1KDM4ECYP2C19CYP2D6HSD17B10 | |
| SCHEMBL19626682 | 0.70 | KCNN4 (0.42) | ALDH1A1KDM4ETDP1CYP2C19CYP2D6 |
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-106045865-B | A method of Clorprenaline optical isomer is prepared based on Chiral liquid chromatography | 陕西科技大学 | 2018-11-27 | — | — | CN | disclosed |
| CN-106045865-A | Method for preparing clorprenaline optical isomers based on chiral liquid chromatography | 陕西科技大学 | 2016-10-26 | — | — | CN | disclosed |