Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27791642 | 0.91 | GRIN1 (0.43) | ESR1ESR2SIGMAR1GRIN1GRIN2B | |
| SCHEMBL27812994 | 0.88 | GRIN1 (0.37) | ESR1ESR2GRIN1GRIN2BDRD2 | |
| SCHEMBL28043420 | 0.77 | DRD2 (0.49) | ESR1ESR2DRD2DRD1DRD4 | |
| SCHEMBL30768482 | 0.74 | ESR1 (0.56) | ESR1ESR2CA1CA2CA7 | |
| SCHEMBL27706511 | 0.74 | ESR1 (0.43) | ESR1ESR2DRD2DRD1 | |
| SCHEMBL28313486 | 0.74 | ESR1 (0.65) | ESR1ESR2DRD2DRD1DRD4 | |
| SCHEMBL5115833 | 0.73 | ESR1 (0.56) | ESR1ESR2SIGMAR1DRD2DRD1 | |
| SCHEMBL28313480 | 0.72 | ESR1 (0.50) | ESR1ESR2DRD2DRD1 | |
| SCHEMBL28314239 | 0.72 | ESR1 (0.59) | ESR1ESR2GRIN1GRIN2B | |
| SCHEMBL28313489 | 0.72 | ESR1 (0.47) | ESR1ESR2DRD2DRD1DRD4 |
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-109988109-A | Inhibit the aminated compounds and application thereof of SSAO/VAP-1 | 广东东阳光药业有限公司 | 2019-07-09 | — | — | CN | disclosed |