Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CRHBP | P24387 | 2/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL26227708 | 0.79 | ESR1 (0.42) | ESR1ESR2CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL8515749 | 0.77 | CYP19A1 (0.40) | — | |
| SCHEMBL7317272 | 0.76 | ESR1 (0.47) | ESR1ESR2CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL10682685 | 0.76 | ESR1 (0.51) | ESR1ESR2CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL9391610 | 0.76 | ESR1 (0.47) | ESR1ESR2CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL17974163 | 0.72 | ESR1 (0.40) | ESR1ESR2DRD2DRD3HTR6 | |
| SCHEMBL20045526 | 0.70 | HTR6 (0.58) | HTR6 | |
| SCHEMBL2226246 | 0.70 | HTR6 (0.58) | HTR6 | |
| Hydrochloric Acid SCHEMBL2223844 | 0.69 | HTR6 (0.60) | HTR6 | |
| SCHEMBL9910980 | 0.68 | SIGMAR1 (0.48) | CHRNB4CHRNA3CHRNB2CHRNA4DRD2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1778680-A2 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006018184-A2 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2006-02-23 | — | — | WO | disclosed |