Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 12/20 | 0.51 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.40 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL20909617 | 0.87 | NCF1 (0.49) | NCF1GPBAR1CYSLTR2CYSLTR1DRD3 | |
| SCHEMBL20909590 | 0.87 | NCF1 (0.49) | NCF1GPBAR1CYSLTR2CYSLTR1ALDH1A1 | |
| SCHEMBL20909344 | 0.87 | NCF1 (0.49) | NCF1GPBAR1CYSLTR2CYSLTR1ALDH1A1 | |
| SCHEMBL12957276 | 0.87 | NCF1 (0.54) | NCF1GPBAR1CYSLTR2CYSLTR1ALDH1A1 | |
| SCHEMBL18024124 | 0.86 | NCF1 (0.63) | NCF1ALDH1A1GFERKDM4EMAPK1 | |
| Hydrochloric Acid SCHEMBL10812002 | 0.83 | NCF1 (0.46) | NCF1GPBAR1CYSLTR2CYSLTR1ALDH1A1 | |
| SCHEMBL20909589 | 0.82 | NCF1 (0.46) | NCF1GPBAR1CYSLTR2CYSLTR1PDE10A | |
| SCHEMBL20909444 | 0.81 | NCF1 (0.43) | NCF1GPBAR1CYSLTR2CYSLTR1ALDH1A1 | |
| SCHEMBL22117603 | 0.80 | NCF1 (0.54) | NCF1KDM4EMAPK1TDP1 | |
| SCHEMBL29205379 | 0.80 | NCF1 (0.48) | NCF1GPBAR1CYSLTR2CYSLTR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019073481-A1 | PROCESS FOR THE PREPARATION OF BREXPIPRAZOLE AND ITS INTERMEDIATES | INDOCO REMEDIES LIMITED (IN) | 2019-04-18 | — | — | WO | disclosed |
| WO-2019073481-A1 | PROCESS FOR THE PREPARATION OF BREXPIPRAZOLE AND ITS INTERMEDIATES | INDOCO REMEDIES LIMITED (IN) | 2019-04-18 | — | — | WO | disclosed |