Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 15/20 | 0.72 |
| ▸ | HTR2A | P28223 | 7/20 | 0.72 |
| ▸ | HTR1A | P08908 | 5/20 | 0.72 |
| ▸ | DRD3 | P35462 | 7/20 | 0.65 |
| ▸ | DRD4 | P21917 | 4/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.62 |
| ▸ | DRD1 | P21728 | 2/20 | 0.61 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | MLNR | O43193 | 1/20 | 0.61 |
| ▸ | HTR3B | O95264 | 1/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | PGR | P06401 | 1/20 | 0.61 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.61 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.61 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28484110 | 0.99 | DRD2 (0.71) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL3401292 | 0.85 | DRD2 (0.69) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL28490438 | 0.82 | DRD2 (0.66) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL14494817 | 0.82 | DRD2 (0.66) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL3402307 | 0.81 | DRD2 (0.74) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL4244520 | 0.81 | DRD2 (0.67) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL14494809 | 0.81 | DRD2 (0.66) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL3613501 | 0.81 | DRD2 (0.72) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL29785698 | 0.80 | DRD2 (0.64) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL14494825 | 0.79 | DRD2 (0.58) | DRD2HTR2AHTR1ADRD3DRD4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111826677-B | Electro-reduction preparation method of aripiprazole intermediate | 浙江大学 | 2021-06-04 | — | — | CN | claimed |
| CN-111826677-A | Electro-reduction preparation method of aripiprazole intermediate | 浙江大学 | 2020-10-27 | — | — | CN | claimed |
| CN-111826677-B | Electro-reduction preparation method of aripiprazole intermediate | 浙江大学 | 2021-06-04 | — | — | CN | disclosed |
| CN-111826677-A | Electro-reduction preparation method of aripiprazole intermediate | 浙江大学 | 2020-10-27 | — | — | CN | disclosed |