Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 17/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 16/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP7 | P09237 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | MMP15 | P51511 | 1/20 | 0.40 |
| ▸ | MMP16 | P51512 | 1/20 | 0.40 |
| ▸ | MMP26 | Q9NRE1 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28313480 | 0.90 | ESR1 (0.50) | ESR1ESR2MMP1MMP2MMP7 | |
| SCHEMBL28313486 | 0.84 | ESR1 (0.65) | ESR1ESR2DRD2DRD1DRD4 | |
| SCHEMBL28314239 | 0.82 | ESR1 (0.59) | ESR1ESR2 | |
| SCHEMBL28314192 | 0.80 | ESR1 (0.58) | ESR1ESR2 | |
| SCHEMBL28043420 | 0.79 | DRD2 (0.49) | ESR1ESR2DRD2DRD1DRD4 | |
| SCHEMBL27901762 | 0.76 | ESR1 (0.40) | ESR1ESR2MMP1MMP2MMP7 | |
| SCHEMBL27706511 | 0.76 | ESR1 (0.43) | ESR1ESR2DRD2DRD1 | |
| SCHEMBL27706513 | 0.75 | ESR1 (0.49) | ESR1ESR2MMP1MMP2MMP9 | |
| SCHEMBL28875621 | 0.74 | ESR1 (0.48) | ESR1ESR2MMP1MMP2MMP9 | |
| SCHEMBL28313498 | 0.72 | ESR1 (0.43) | 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 |