Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.56 |
| ▸ | DRD1 | P21728 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 11/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.55 |
| ▸ | PRCP | P42785 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28742341 | 1.00 | DRD2 (0.56) | DRD2DRD1ESR1ESR2PRCP | |
| SCHEMBL19453885 | 0.89 | ESR1 (0.55) | DRD2DRD1ESR1ESR2PRCP | |
| SCHEMBL28742357 | 0.82 | CA1 (0.69) | DRD2DRD1CA1CA2CA7 | |
| SCHEMBL5244522 | 0.81 | PRCP (0.77) | DRD2DRD1PRCP | |
| SCHEMBL29783566 | 0.81 | PRCP (0.77) | DRD2DRD1PRCP | |
| SCHEMBL6723053 | 0.79 | ESR1 (0.85) | ESR1ESR2 | |
| SCHEMBL29670096 | 0.77 | CA1 (0.54) | DRD2DRD1PRCPCA1CA2 | |
| SCHEMBL5249358 | 0.77 | DRD1 (0.50) | DRD2DRD1ESR1ESR2PRCP | |
| SCHEMBL5244066 | 0.77 | DRD1 (0.50) | DRD2DRD1PRCPCA1CA2 | |
| SCHEMBL5249611 | 0.76 | DRD2 (0.49) | DRD2DRD1ESR1ESR2PRCP |
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 |
|---|---|---|---|---|---|---|---|
| CN-114539144-A | Tetrahydroisoquinoline aryl urea compound and preparation method and application thereof | 蚌埠医学院 | 2022-05-27 | — | — | CN | disclosed |