Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 11/20 | 0.39 |
| ▸ | DRD3 | P35462 | 11/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13626588 | 0.94 | ESR1 (0.51) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626600 | 0.94 | ESR1 (0.51) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626589 | 0.92 | ESR1 (0.51) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626578 | 0.90 | ESR1 (0.54) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626574 | 0.88 | ESR1 (0.53) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626643 | 0.87 | ESR1 (0.44) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626575 | 0.87 | ESR1 (0.54) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL228004 | 0.87 | ESR1 (0.54) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626591 | 0.86 | ESR1 (0.48) | ESR1ESR2DRD2DRD3 | |
| SCHEMBL13626590 | 0.86 | ESR1 (0.48) | ESR1ESR2DRD2DRD3 |
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 |