Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR8 | P51685 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5124876 | 0.89 | SIGMAR1 (0.57) | CCR8SIGMAR1 | |
| SCHEMBL5130455 | 0.87 | BCHE (0.49) | CCR8SIGMAR1CYP2C19SMN1; SMN2USP2 | |
| SCHEMBL5117306 | 0.86 | CCR8 (0.47) | CCR8SIGMAR1CYP2C19SMN1; SMN2USP2 | |
| SCHEMBL5118332 | 0.86 | CCR8 (0.47) | CCR8SIGMAR1CYP2C19SMN1; SMN2USP2 | |
| SCHEMBL5126563 | 0.84 | CCR2 (0.53) | SMN1; SMN2 | |
| SCHEMBL5121666 | 0.82 | CYP2C19 (0.53) | SIGMAR1CYP2C19SMN1; SMN2CYP2D6CYP2C9 | |
| SCHEMBL5164015 | 0.82 | HDAC1 (0.48) | SMN1; SMN2 | |
| SCHEMBL5119081 | 0.82 | CCR8 (0.45) | CCR8SIGMAR1CYP2C19SMN1; SMN2USP2 | |
| SCHEMBL5127760 | 0.80 | SIGMAR1 (0.51) | SIGMAR1SMN1; SMN2 | |
| SCHEMBL12488466 | 0.79 | ALDH1A1 (0.41) | — |
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-1768955-A1 | AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006005941-A1 | AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) | 2006-01-19 | — | — | WO | disclosed |