Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 5/20 | 0.33 |
| ▸ | DRD2 | P14416 | 7/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 6/20 | 0.32 |
| ▸ | DRD4 | P21917 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13626700 | 0.94 | ESR1 (0.37) | ESR1ESR2KDRCXCR3DRD2 | |
| SCHEMBL13626667 | 0.89 | ESR1 (0.42) | ESR1ESR2KDRDRD2DRD1 | |
| SCHEMBL13626703 | 0.88 | ESR1 (0.37) | ESR1ESR2KDRCXCR3DRD2 | |
| SCHEMBL13626708 | 0.88 | ESR1 (0.38) | ESR1ESR2KDRCXCR3 | |
| SCHEMBL13626711 | 0.87 | HTR2C (0.36) | ESR1ESR2CXCR3CYP2D6 | |
| SCHEMBL13626639 | 0.86 | ESR1 (0.47) | ESR1ESR2DRD2DRD3DRD4 | |
| SCHEMBL13626640 | 0.85 | ESR1 (0.46) | ESR1ESR2DRD2DRD3DRD4 | |
| SCHEMBL13626641 | 0.85 | ESR1 (0.47) | ESR1ESR2DRD2DRD3DRD4 | |
| SCHEMBL13626661 | 0.84 | ESR1 (0.47) | ESR1ESR2KDRDRD2DRD3 | |
| SCHEMBL230523 | 0.84 | ESR1 (0.51) | ESR1ESR2KDRCXCR3DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7612114-B2 | Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-11-03 | — | — | US | disclosed |