Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.37 |
| ▸ | ESR1 | P03372 | 9/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27969609 | 0.78 | HTR2A (0.38) | TDP1 | |
| SCHEMBL31505344 | 0.72 | ESR2 (0.46) | DRD2DRD4DRD1ESR2ESR1 | |
| SCHEMBL326830 | 0.72 | ESR2 (0.46) | DRD2DRD4DRD1ESR2ESR1 | |
| SCHEMBL28314184 | 0.71 | BCL2L1 (0.33) | ALDH1A1MAPTRECQLTDP1KDM4E | |
| SCHEMBL8320440 | 0.67 | ALDH1A1 (0.46) | DRD2DRD4DRD1ESR2ESR1 | |
| SCHEMBL19454255 | 0.67 | DRD2 (0.41) | DRD2DRD4DRD1ESR2ESR1 | |
| SCHEMBL10677029 | 0.67 | DRD2 (0.40) | DRD2DRD4DRD1ESR2ESR1 | |
| SCHEMBL8557120 | 0.66 | ALDH1A1 (0.42) | DRD2DRD4DRD1ESR2ESR1 | |
| SCHEMBL19454256 | 0.65 | NR3C1 (0.44) | DRD2DRD4DRD1ESR2ESR1 | |
| SCHEMBL5306224 | 0.65 | DRD2 (0.46) | DRD2DRD4DRD1ESR2ESR1 |
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 |