Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.51 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.51 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.51 |
| ▸ | NCF1 | P14598 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13737643 | 0.83 | MAPT (0.53) | NCF1CYP1A2TP53CA12CA1 | |
| SCHEMBL20909636 | 0.83 | GPBAR1 (0.50) | GPBAR1CYSLTR1CYSLTR2NCF1NR5A1 | |
| SCHEMBL13737763 | 0.82 | NCF1 (0.51) | NCF1CYP1A2ALDH1A1CASP1CASP7 | |
| SCHEMBL12957276 | 0.79 | NCF1 (0.54) | GPBAR1CYSLTR1CYSLTR2NCF1CA12 | |
| SCHEMBL347683 | 0.79 | NR5A1 (0.62) | NR5A1TP53CA12CA1CA2 | |
| SCHEMBL10642885 | 0.79 | NR5A1 (0.62) | NR5A1TP53CA12CA1CA2 | |
| SCHEMBL4945033 | 0.79 | NR5A1 (0.62) | NR5A1TP53CA12CA1CA2 | |
| SCHEMBL19809314 | 0.76 | CA12 (0.59) | GPBAR1CYSLTR1CYSLTR2NR5A1CA12 | |
| SCHEMBL29779708 | 0.76 | CA12 (0.59) | GPBAR1CYSLTR1CYSLTR2NR5A1CA12 | |
| SCHEMBL14231934 | 0.76 | NR5A1 (0.50) | GPBAR1CYSLTR1CYSLTR2CYP1A2NR5A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019073481-A1 | PROCESS FOR THE PREPARATION OF BREXPIPRAZOLE AND ITS INTERMEDIATES | INDOCO REMEDIES LIMITED (IN) | 2019-04-18 | — | — | WO | disclosed |